USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1031 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN : amide:sc= -0.229 X(o=-1.8,f=-2.1) USER MOD Set 1.2: A 60 GLN : amide:sc= -1.58 K(o=-1.8,f=-2.5!) USER MOD Set 2.1: A 25 GLN : amide:sc= -3.2! C(o=-4.8!,f=-6.9!) USER MOD Set 2.2: A 28 SER OG : rot -35:sc= -1.56! USER MOD Single : A 3 MET CE :methyl 174:sc= 0 (180deg=-0.0231) USER MOD Single : A 4 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-7.6!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.3) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 12 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.4!) USER MOD Single : A 16 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.69) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= -4.58! (180deg=-5.01!) USER MOD Single : A 29 GLN : amide:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 34 SER OG : rot -83:sc= 0.502 USER MOD Single : A 36 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.62) USER MOD Single : A 38 MET CE :methyl 157:sc= -0.423 (180deg=-1.8) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 70:sc= -0.917 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -2.9! C(o=-2.9!,f=-5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 1.42 (180deg=1.42) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -150:sc= -1.18 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0291 K(o=-0.029,f=-5.2!) USER MOD Single : A 72 HIS : no HE2:sc= -3.64! C(o=-3.6!,f=-6.1!) USER MOD Single : A 73 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.1) USER MOD Single : A 74 GLN : amide:sc= -0.972 X(o=-0.97,f=-1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -45:sc= -0.392! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -2.73! C(o=-3.3!,f=-2.7!) USER MOD Single : A 100 GLN : amide:sc= -19.2! C(o=-19!,f=-20!) USER MOD Single : A 102 ASN :FLIP amide:sc= -2.69 F(o=-4.7!,f=-2.7) USER MOD Single : A 103 ASN :FLIP amide:sc= -6.53! C(o=-7.4!,f=-6.5!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.2!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.093 F(o=-0.82,f=-0.093) USER MOD Single : A 113 TYR OH : rot -123:sc= 0.244 USER MOD Single : A 114 GLN : amide:sc= -4.99 K(o=-5,f=-7.1!) USER MOD Single : A 115 GLN : amide:sc= -0.265 K(o=-0.27,f=-2.4!) USER MOD Single : A 127 SER OG : rot -36:sc= 0.593 USER MOD Single : A 129 LYS NZ :NH3+ -148:sc= 1.09 (180deg=-0.0919) USER MOD Single : A 132 SER OG : rot -81:sc= 0.203 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.460 9.481 0.413 1.00 0.00 N ATOM 2 CA PRO A 1 6.905 9.491 0.799 1.00 0.00 C ATOM 3 C PRO A 1 7.049 10.125 2.190 1.00 0.00 C ATOM 4 O PRO A 1 6.529 11.191 2.467 1.00 0.00 O ATOM 5 CB PRO A 1 7.667 10.293 -0.269 1.00 0.00 C ATOM 6 CG PRO A 1 6.614 11.070 -1.064 1.00 0.00 C ATOM 7 CD PRO A 1 5.246 10.476 -0.685 1.00 0.00 C ATOM 0 H2 PRO A 1 4.878 9.713 1.218 1.00 0.00 H new ATOM 0 H3 PRO A 1 5.184 8.549 0.104 1.00 0.00 H new ATOM 0 HA PRO A 1 7.315 8.482 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 1 8.383 10.972 0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 1 8.234 9.629 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 1 6.654 12.133 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 1 6.792 10.978 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.566 11.263 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 1 4.786 9.996 -1.549 1.00 0.00 H new ATOM 17 N VAL A 2 7.767 9.472 3.060 1.00 0.00 N ATOM 18 CA VAL A 2 7.972 10.005 4.434 1.00 0.00 C ATOM 19 C VAL A 2 9.304 9.468 4.960 1.00 0.00 C ATOM 20 O VAL A 2 9.621 8.304 4.824 1.00 0.00 O ATOM 21 CB VAL A 2 6.802 9.589 5.353 1.00 0.00 C ATOM 22 CG1 VAL A 2 6.309 8.186 4.989 1.00 0.00 C ATOM 23 CG2 VAL A 2 7.250 9.602 6.822 1.00 0.00 C ATOM 0 H VAL A 2 8.226 8.580 2.874 1.00 0.00 H new ATOM 0 HA VAL A 2 7.999 11.095 4.417 1.00 0.00 H new ATOM 0 HB VAL A 2 5.990 10.303 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.485 7.908 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.967 8.178 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.124 7.472 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.416 9.307 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.075 8.903 6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.577 10.606 7.094 1.00 0.00 H new ATOM 33 N MET A 3 10.097 10.326 5.526 1.00 0.00 N ATOM 34 CA MET A 3 11.428 9.915 6.031 1.00 0.00 C ATOM 35 C MET A 3 11.393 9.723 7.549 1.00 0.00 C ATOM 36 O MET A 3 10.747 10.462 8.265 1.00 0.00 O ATOM 37 CB MET A 3 12.394 11.034 5.654 1.00 0.00 C ATOM 38 CG MET A 3 12.552 11.056 4.121 1.00 0.00 C ATOM 39 SD MET A 3 13.835 9.866 3.641 1.00 0.00 S ATOM 40 CE MET A 3 14.711 10.907 2.445 1.00 0.00 C ATOM 0 H MET A 3 9.874 11.312 5.662 1.00 0.00 H new ATOM 0 HA MET A 3 11.737 8.964 5.597 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.018 11.993 6.009 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.361 10.875 6.131 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.606 10.803 3.642 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.822 12.057 3.785 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.610 10.393 2.105 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.062 11.106 1.592 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.988 11.850 2.917 1.00 0.00 H new ATOM 50 N HIS A 4 12.084 8.730 8.043 1.00 0.00 N ATOM 51 CA HIS A 4 12.101 8.473 9.514 1.00 0.00 C ATOM 52 C HIS A 4 13.449 7.840 9.901 1.00 0.00 C ATOM 53 O HIS A 4 13.524 6.640 10.079 1.00 0.00 O ATOM 54 CB HIS A 4 10.975 7.497 9.862 1.00 0.00 C ATOM 55 CG HIS A 4 11.045 6.302 8.951 1.00 0.00 C ATOM 56 ND1 HIS A 4 12.064 6.138 8.026 1.00 0.00 N ATOM 57 CD2 HIS A 4 10.231 5.206 8.811 1.00 0.00 C ATOM 58 CE1 HIS A 4 11.839 4.981 7.376 1.00 0.00 C ATOM 59 NE2 HIS A 4 10.733 4.373 7.816 1.00 0.00 N ATOM 0 H HIS A 4 12.641 8.081 7.487 1.00 0.00 H new ATOM 0 HA HIS A 4 11.963 9.410 10.054 1.00 0.00 H new ATOM 0 HB2 HIS A 4 11.062 7.180 10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 4 10.008 7.990 9.759 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.336 5.018 9.386 1.00 0.00 H new ATOM 0 HE1 HIS A 4 12.474 4.592 6.594 1.00 0.00 H new ATOM 0 HE2 HIS A 4 10.341 3.489 7.492 1.00 0.00 H new ATOM 67 N PRO A 5 14.480 8.651 10.024 1.00 0.00 N ATOM 68 CA PRO A 5 15.817 8.144 10.391 1.00 0.00 C ATOM 69 C PRO A 5 15.774 7.536 11.801 1.00 0.00 C ATOM 70 O PRO A 5 15.078 8.016 12.674 1.00 0.00 O ATOM 71 CB PRO A 5 16.741 9.387 10.335 1.00 0.00 C ATOM 72 CG PRO A 5 15.876 10.591 9.860 1.00 0.00 C ATOM 73 CD PRO A 5 14.410 10.111 9.797 1.00 0.00 C ATOM 0 HA PRO A 5 16.171 7.357 9.726 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.173 9.588 11.315 1.00 0.00 H new ATOM 0 HB3 PRO A 5 17.571 9.217 9.650 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.976 11.430 10.548 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.208 10.940 8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.801 10.601 10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.960 10.340 8.831 1.00 0.00 H new ATOM 81 N HIS A 6 16.510 6.480 12.025 1.00 0.00 N ATOM 82 CA HIS A 6 16.509 5.837 13.370 1.00 0.00 C ATOM 83 C HIS A 6 16.661 6.905 14.454 1.00 0.00 C ATOM 84 O HIS A 6 17.567 7.713 14.423 1.00 0.00 O ATOM 85 CB HIS A 6 17.674 4.848 13.464 1.00 0.00 C ATOM 86 CG HIS A 6 17.610 4.123 14.780 1.00 0.00 C ATOM 87 ND1 HIS A 6 18.286 4.571 15.904 1.00 0.00 N ATOM 88 CD2 HIS A 6 16.956 2.979 15.167 1.00 0.00 C ATOM 89 CE1 HIS A 6 18.025 3.709 16.904 1.00 0.00 C ATOM 90 NE2 HIS A 6 17.219 2.720 16.508 1.00 0.00 N ATOM 0 H HIS A 6 17.113 6.035 11.333 1.00 0.00 H new ATOM 0 HA HIS A 6 15.567 5.308 13.514 1.00 0.00 H new ATOM 0 HB2 HIS A 6 17.627 4.135 12.641 1.00 0.00 H new ATOM 0 HB3 HIS A 6 18.623 5.377 13.374 1.00 0.00 H new ATOM 0 HD2 HIS A 6 16.332 2.373 14.527 1.00 0.00 H new ATOM 0 HE1 HIS A 6 18.419 3.805 17.905 1.00 0.00 H new ATOM 0 HE2 HIS A 6 16.871 1.942 17.069 1.00 0.00 H new ATOM 98 N GLY A 7 15.779 6.913 15.415 1.00 0.00 N ATOM 99 CA GLY A 7 15.870 7.926 16.503 1.00 0.00 C ATOM 100 C GLY A 7 15.931 9.328 15.896 1.00 0.00 C ATOM 101 O GLY A 7 16.951 9.987 15.933 1.00 0.00 O ATOM 0 H GLY A 7 14.999 6.261 15.494 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.008 7.842 17.164 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.756 7.743 17.111 1.00 0.00 H new ATOM 105 N ALA A 8 14.842 9.799 15.352 1.00 0.00 N ATOM 106 CA ALA A 8 14.836 11.166 14.762 1.00 0.00 C ATOM 107 C ALA A 8 13.374 11.616 14.589 1.00 0.00 C ATOM 108 O ALA A 8 12.473 10.881 14.943 1.00 0.00 O ATOM 109 CB ALA A 8 15.571 11.135 13.408 1.00 0.00 C ATOM 0 H ALA A 8 13.957 9.296 15.291 1.00 0.00 H new ATOM 0 HA ALA A 8 15.349 11.873 15.413 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.570 12.133 12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.599 10.806 13.560 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.064 10.443 12.735 1.00 0.00 H new ATOM 115 N PRO A 9 13.162 12.801 14.055 1.00 0.00 N ATOM 116 CA PRO A 9 11.807 13.317 13.851 1.00 0.00 C ATOM 117 C PRO A 9 11.294 12.794 12.502 1.00 0.00 C ATOM 118 O PRO A 9 12.089 12.582 11.608 1.00 0.00 O ATOM 119 CB PRO A 9 11.991 14.841 13.765 1.00 0.00 C ATOM 120 CG PRO A 9 13.512 15.101 13.553 1.00 0.00 C ATOM 121 CD PRO A 9 14.220 13.728 13.618 1.00 0.00 C ATOM 0 HA PRO A 9 11.107 13.024 14.634 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.410 15.254 12.941 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.640 15.325 14.677 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.690 15.581 12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.899 15.771 14.321 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.625 13.442 12.648 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.054 13.742 14.320 1.00 0.00 H new ATOM 129 N PRO A 10 10.005 12.634 12.344 1.00 0.00 N ATOM 130 CA PRO A 10 9.483 12.187 11.055 1.00 0.00 C ATOM 131 C PRO A 10 9.586 13.338 10.047 1.00 0.00 C ATOM 132 O PRO A 10 8.880 14.323 10.142 1.00 0.00 O ATOM 133 CB PRO A 10 8.012 11.820 11.333 1.00 0.00 C ATOM 134 CG PRO A 10 7.652 12.428 12.718 1.00 0.00 C ATOM 135 CD PRO A 10 8.980 12.844 13.392 1.00 0.00 C ATOM 0 HA PRO A 10 10.030 11.342 10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.361 12.218 10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.878 10.738 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.993 13.289 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.120 11.701 13.331 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.952 13.884 13.718 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.184 12.239 14.275 1.00 0.00 H new ATOM 143 N ASN A 11 10.460 13.222 9.085 1.00 0.00 N ATOM 144 CA ASN A 11 10.610 14.309 8.072 1.00 0.00 C ATOM 145 C ASN A 11 9.722 14.002 6.864 1.00 0.00 C ATOM 146 O ASN A 11 10.165 13.443 5.881 1.00 0.00 O ATOM 147 CB ASN A 11 12.089 14.405 7.644 1.00 0.00 C ATOM 148 CG ASN A 11 12.846 15.355 8.579 1.00 0.00 C ATOM 149 OD1 ASN A 11 13.124 15.016 9.713 1.00 0.00 O ATOM 150 ND2 ASN A 11 13.193 16.536 8.148 1.00 0.00 N ATOM 0 H ASN A 11 11.078 12.421 8.955 1.00 0.00 H new ATOM 0 HA ASN A 11 10.304 15.263 8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.548 13.416 7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.156 14.763 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.698 17.175 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.960 16.821 7.197 1.00 0.00 H new ATOM 157 N HIS A 12 8.467 14.361 6.933 1.00 0.00 N ATOM 158 CA HIS A 12 7.551 14.085 5.794 1.00 0.00 C ATOM 159 C HIS A 12 8.016 14.859 4.561 1.00 0.00 C ATOM 160 O HIS A 12 8.353 16.024 4.635 1.00 0.00 O ATOM 161 CB HIS A 12 6.132 14.533 6.159 1.00 0.00 C ATOM 162 CG HIS A 12 5.786 14.054 7.541 1.00 0.00 C ATOM 163 ND1 HIS A 12 5.391 14.922 8.547 1.00 0.00 N ATOM 164 CD2 HIS A 12 5.761 12.800 8.097 1.00 0.00 C ATOM 165 CE1 HIS A 12 5.146 14.185 9.646 1.00 0.00 C ATOM 166 NE2 HIS A 12 5.356 12.884 9.426 1.00 0.00 N ATOM 0 H HIS A 12 8.039 14.833 7.730 1.00 0.00 H new ATOM 0 HA HIS A 12 7.558 13.016 5.580 1.00 0.00 H new ATOM 0 HB2 HIS A 12 6.061 15.620 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 12 5.418 14.136 5.437 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.017 11.886 7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.820 14.595 10.590 1.00 0.00 H new ATOM 0 HE2 HIS A 12 5.244 12.117 10.089 1.00 0.00 H new ATOM 174 N ARG A 13 8.036 14.216 3.428 1.00 0.00 N ATOM 175 CA ARG A 13 8.477 14.895 2.179 1.00 0.00 C ATOM 176 C ARG A 13 7.254 15.570 1.542 1.00 0.00 C ATOM 177 O ARG A 13 6.143 15.148 1.791 1.00 0.00 O ATOM 178 CB ARG A 13 9.018 13.813 1.235 1.00 0.00 C ATOM 179 CG ARG A 13 10.480 13.496 1.575 1.00 0.00 C ATOM 180 CD ARG A 13 10.857 12.128 0.997 1.00 0.00 C ATOM 181 NE ARG A 13 10.560 12.109 -0.463 1.00 0.00 N ATOM 182 CZ ARG A 13 11.060 11.171 -1.220 1.00 0.00 C ATOM 183 NH1 ARG A 13 11.818 10.246 -0.698 1.00 0.00 N ATOM 184 NH2 ARG A 13 10.801 11.158 -2.499 1.00 0.00 N ATOM 0 H ARG A 13 7.763 13.240 3.313 1.00 0.00 H new ATOM 0 HA ARG A 13 9.245 15.643 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.413 12.910 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.942 14.151 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.134 14.267 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.621 13.497 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.915 11.928 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.299 11.341 1.503 1.00 0.00 H new ATOM 0 HE ARG A 13 9.965 12.830 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.020 10.256 0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.209 9.513 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.208 11.881 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.192 10.425 -3.091 1.00 0.00 H new ATOM 198 N PRO A 14 7.463 16.582 0.724 1.00 0.00 N ATOM 199 CA PRO A 14 6.335 17.259 0.061 1.00 0.00 C ATOM 200 C PRO A 14 5.395 16.190 -0.513 1.00 0.00 C ATOM 201 O PRO A 14 5.667 15.617 -1.550 1.00 0.00 O ATOM 202 CB PRO A 14 6.997 18.111 -1.046 1.00 0.00 C ATOM 203 CG PRO A 14 8.532 18.114 -0.771 1.00 0.00 C ATOM 204 CD PRO A 14 8.797 17.125 0.388 1.00 0.00 C ATOM 0 HA PRO A 14 5.734 17.884 0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.784 17.695 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.603 19.127 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.082 17.816 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.872 19.115 -0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.483 16.334 0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.248 17.628 1.244 1.00 0.00 H new ATOM 212 N TRP A 15 4.311 15.891 0.160 1.00 0.00 N ATOM 213 CA TRP A 15 3.382 14.826 -0.339 1.00 0.00 C ATOM 214 C TRP A 15 2.193 15.456 -1.075 1.00 0.00 C ATOM 215 O TRP A 15 1.525 14.783 -1.832 1.00 0.00 O ATOM 216 CB TRP A 15 2.876 13.979 0.859 1.00 0.00 C ATOM 217 CG TRP A 15 3.011 14.753 2.137 1.00 0.00 C ATOM 218 CD1 TRP A 15 3.949 14.523 3.085 1.00 0.00 C ATOM 219 CD2 TRP A 15 2.203 15.865 2.624 1.00 0.00 C ATOM 220 NE1 TRP A 15 3.772 15.424 4.118 1.00 0.00 N ATOM 221 CE2 TRP A 15 2.709 16.272 3.882 1.00 0.00 C ATOM 222 CE3 TRP A 15 1.094 16.554 2.103 1.00 0.00 C ATOM 223 CZ2 TRP A 15 2.136 17.325 4.596 1.00 0.00 C ATOM 224 CZ3 TRP A 15 0.514 17.614 2.819 1.00 0.00 C ATOM 225 CH2 TRP A 15 1.034 17.999 4.063 1.00 0.00 C ATOM 0 H TRP A 15 4.028 16.337 1.033 1.00 0.00 H new ATOM 0 HA TRP A 15 3.919 14.184 -1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.834 13.701 0.702 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.446 13.052 0.925 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.712 13.760 3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.356 15.458 4.953 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.685 16.266 1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.541 17.617 5.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.338 18.136 2.409 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.584 18.815 4.608 1.00 0.00 H new ATOM 236 N GLN A 16 1.925 16.729 -0.851 1.00 0.00 N ATOM 237 CA GLN A 16 0.763 17.417 -1.525 1.00 0.00 C ATOM 238 C GLN A 16 -0.373 16.407 -1.760 1.00 0.00 C ATOM 239 O GLN A 16 -0.608 15.983 -2.874 1.00 0.00 O ATOM 240 CB GLN A 16 1.213 18.012 -2.871 1.00 0.00 C ATOM 241 CG GLN A 16 2.102 17.022 -3.629 1.00 0.00 C ATOM 242 CD GLN A 16 2.437 17.593 -5.008 1.00 0.00 C ATOM 243 OE1 GLN A 16 2.306 16.915 -6.007 1.00 0.00 O ATOM 244 NE2 GLN A 16 2.867 18.822 -5.105 1.00 0.00 N ATOM 0 H GLN A 16 2.466 17.326 -0.225 1.00 0.00 H new ATOM 0 HA GLN A 16 0.405 18.221 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.340 18.261 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.758 18.941 -2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.018 16.835 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.592 16.065 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.977 19.392 -4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.093 19.213 -6.020 1.00 0.00 H new ATOM 253 N MET A 17 -1.041 15.970 -0.722 1.00 0.00 N ATOM 254 CA MET A 17 -2.100 14.939 -0.910 1.00 0.00 C ATOM 255 C MET A 17 -3.215 15.449 -1.830 1.00 0.00 C ATOM 256 O MET A 17 -4.246 14.823 -1.964 1.00 0.00 O ATOM 257 CB MET A 17 -2.685 14.538 0.446 1.00 0.00 C ATOM 258 CG MET A 17 -1.624 13.798 1.262 1.00 0.00 C ATOM 259 SD MET A 17 -2.322 13.313 2.860 1.00 0.00 S ATOM 260 CE MET A 17 -0.762 13.232 3.773 1.00 0.00 C ATOM 0 H MET A 17 -0.899 16.281 0.239 1.00 0.00 H new ATOM 0 HA MET A 17 -1.644 14.068 -1.381 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.021 15.424 0.985 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.558 13.901 0.303 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.282 12.916 0.720 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.754 14.437 1.412 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.959 12.944 4.806 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.107 12.494 3.309 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.279 14.209 3.755 1.00 0.00 H new ATOM 270 N LYS A 18 -3.023 16.567 -2.476 1.00 0.00 N ATOM 271 CA LYS A 18 -4.082 17.079 -3.388 1.00 0.00 C ATOM 272 C LYS A 18 -4.379 16.017 -4.449 1.00 0.00 C ATOM 273 O LYS A 18 -5.457 15.966 -5.014 1.00 0.00 O ATOM 274 CB LYS A 18 -3.593 18.359 -4.070 1.00 0.00 C ATOM 275 CG LYS A 18 -2.387 18.036 -4.956 1.00 0.00 C ATOM 276 CD LYS A 18 -1.705 19.335 -5.389 1.00 0.00 C ATOM 277 CE LYS A 18 -0.602 19.021 -6.401 1.00 0.00 C ATOM 278 NZ LYS A 18 0.069 20.285 -6.815 1.00 0.00 N ATOM 0 H LYS A 18 -2.184 17.144 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.986 17.297 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.393 18.793 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.319 19.101 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.682 17.407 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.707 17.472 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.436 20.012 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.283 19.843 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.125 18.338 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.025 18.520 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.819 20.071 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.629 20.922 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.486 20.746 -5.981 1.00 0.00 H new ATOM 292 N ASP A 19 -3.440 15.136 -4.688 1.00 0.00 N ATOM 293 CA ASP A 19 -3.667 14.046 -5.686 1.00 0.00 C ATOM 294 C ASP A 19 -4.076 12.787 -4.930 1.00 0.00 C ATOM 295 O ASP A 19 -4.955 12.054 -5.358 1.00 0.00 O ATOM 296 CB ASP A 19 -2.398 13.797 -6.501 1.00 0.00 C ATOM 297 CG ASP A 19 -2.647 12.667 -7.502 1.00 0.00 C ATOM 298 OD1 ASP A 19 -3.589 12.778 -8.269 1.00 0.00 O ATOM 299 OD2 ASP A 19 -1.891 11.709 -7.484 1.00 0.00 O ATOM 0 H ASP A 19 -2.526 15.124 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.455 14.333 -6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.107 14.706 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.573 13.535 -5.838 1.00 0.00 H new ATOM 304 N LEU A 20 -3.525 12.550 -3.770 1.00 0.00 N ATOM 305 CA LEU A 20 -3.992 11.369 -3.015 1.00 0.00 C ATOM 306 C LEU A 20 -5.392 11.730 -2.543 1.00 0.00 C ATOM 307 O LEU A 20 -6.185 10.885 -2.183 1.00 0.00 O ATOM 308 CB LEU A 20 -3.098 11.047 -1.813 1.00 0.00 C ATOM 309 CG LEU A 20 -1.741 10.502 -2.282 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.115 11.441 -3.320 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.805 10.381 -1.074 1.00 0.00 C ATOM 0 H LEU A 20 -2.794 13.108 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.969 10.479 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.948 11.945 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.589 10.314 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.890 9.524 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.154 11.039 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.779 11.526 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.967 12.426 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.161 9.994 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.669 11.362 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.241 9.700 -0.343 1.00 0.00 H new ATOM 323 N GLN A 21 -5.719 13.005 -2.577 1.00 0.00 N ATOM 324 CA GLN A 21 -7.081 13.432 -2.182 1.00 0.00 C ATOM 325 C GLN A 21 -8.006 12.997 -3.308 1.00 0.00 C ATOM 326 O GLN A 21 -9.064 12.448 -3.089 1.00 0.00 O ATOM 327 CB GLN A 21 -7.124 14.955 -2.025 1.00 0.00 C ATOM 328 CG GLN A 21 -8.545 15.399 -1.670 1.00 0.00 C ATOM 329 CD GLN A 21 -8.559 16.910 -1.429 1.00 0.00 C ATOM 330 OE1 GLN A 21 -7.954 17.660 -2.168 1.00 0.00 O ATOM 331 NE2 GLN A 21 -9.230 17.390 -0.418 1.00 0.00 N ATOM 0 H GLN A 21 -5.094 13.759 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.379 12.990 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.430 15.269 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.804 15.434 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.231 15.142 -2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.890 14.874 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.738 16.760 0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.247 18.396 -0.248 1.00 0.00 H new ATOM 340 N ALA A 22 -7.587 13.215 -4.531 1.00 0.00 N ATOM 341 CA ALA A 22 -8.410 12.768 -5.692 1.00 0.00 C ATOM 342 C ALA A 22 -8.822 11.314 -5.435 1.00 0.00 C ATOM 343 O ALA A 22 -9.851 10.841 -5.881 1.00 0.00 O ATOM 344 CB ALA A 22 -7.559 12.830 -6.963 1.00 0.00 C ATOM 0 H ALA A 22 -6.713 13.682 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.287 13.404 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.155 12.504 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.222 13.854 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.694 12.176 -6.854 1.00 0.00 H new ATOM 350 N ILE A 23 -8.009 10.621 -4.677 1.00 0.00 N ATOM 351 CA ILE A 23 -8.294 9.202 -4.321 1.00 0.00 C ATOM 352 C ILE A 23 -9.142 9.209 -3.044 1.00 0.00 C ATOM 353 O ILE A 23 -9.949 8.323 -2.797 1.00 0.00 O ATOM 354 CB ILE A 23 -6.939 8.486 -4.086 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.434 7.869 -5.399 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.044 7.393 -3.004 1.00 0.00 C ATOM 357 CD1 ILE A 23 -6.355 8.951 -6.481 1.00 0.00 C ATOM 0 H ILE A 23 -7.143 10.989 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.835 8.679 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.230 9.236 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.452 7.420 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.104 7.070 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.072 6.917 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.359 7.842 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.775 6.645 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.996 8.510 -7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.345 9.379 -6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.668 9.735 -6.162 1.00 0.00 H new ATOM 369 N LYS A 24 -9.039 10.253 -2.273 1.00 0.00 N ATOM 370 CA LYS A 24 -9.877 10.377 -1.065 1.00 0.00 C ATOM 371 C LYS A 24 -11.179 11.043 -1.491 1.00 0.00 C ATOM 372 O LYS A 24 -12.070 11.255 -0.697 1.00 0.00 O ATOM 373 CB LYS A 24 -9.173 11.237 -0.001 1.00 0.00 C ATOM 374 CG LYS A 24 -9.789 10.965 1.383 1.00 0.00 C ATOM 375 CD LYS A 24 -9.332 12.029 2.406 1.00 0.00 C ATOM 376 CE LYS A 24 -8.007 11.612 3.054 1.00 0.00 C ATOM 377 NZ LYS A 24 -6.936 11.554 2.020 1.00 0.00 N ATOM 0 H LYS A 24 -8.400 11.032 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.061 9.396 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.107 11.011 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.271 12.293 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.876 10.969 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.496 9.973 1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.214 12.993 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.095 12.156 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.734 12.322 3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.116 10.639 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.016 11.404 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.127 10.768 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.916 12.449 1.490 1.00 0.00 H new ATOM 391 N GLN A 25 -11.331 11.311 -2.760 1.00 0.00 N ATOM 392 CA GLN A 25 -12.603 11.899 -3.254 1.00 0.00 C ATOM 393 C GLN A 25 -13.443 10.737 -3.791 1.00 0.00 C ATOM 394 O GLN A 25 -14.646 10.647 -3.602 1.00 0.00 O ATOM 395 CB GLN A 25 -12.282 12.887 -4.390 1.00 0.00 C ATOM 396 CG GLN A 25 -13.377 13.951 -4.479 1.00 0.00 C ATOM 397 CD GLN A 25 -14.747 13.276 -4.578 1.00 0.00 C ATOM 398 OE1 GLN A 25 -15.490 13.240 -3.617 1.00 0.00 O ATOM 399 NE2 GLN A 25 -15.115 12.737 -5.707 1.00 0.00 N ATOM 0 H GLN A 25 -10.624 11.146 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.139 12.432 -2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.317 13.360 -4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.204 12.353 -5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.342 14.597 -3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.210 14.586 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.492 12.767 -6.514 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.026 12.285 -5.783 1.00 0.00 H new ATOM 408 N GLU A 26 -12.761 9.816 -4.426 1.00 0.00 N ATOM 409 CA GLU A 26 -13.427 8.609 -4.976 1.00 0.00 C ATOM 410 C GLU A 26 -13.868 7.725 -3.813 1.00 0.00 C ATOM 411 O GLU A 26 -14.777 6.917 -3.938 1.00 0.00 O ATOM 412 CB GLU A 26 -12.444 7.850 -5.871 1.00 0.00 C ATOM 413 CG GLU A 26 -12.325 8.559 -7.223 1.00 0.00 C ATOM 414 CD GLU A 26 -13.618 8.369 -8.018 1.00 0.00 C ATOM 415 OE1 GLU A 26 -13.774 7.317 -8.615 1.00 0.00 O ATOM 416 OE2 GLU A 26 -14.431 9.280 -8.016 1.00 0.00 O ATOM 0 H GLU A 26 -11.754 9.856 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.296 8.893 -5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.467 7.796 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.786 6.825 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.132 9.621 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.480 8.158 -7.782 1.00 0.00 H new ATOM 423 N VAL A 27 -13.328 7.951 -2.641 1.00 0.00 N ATOM 424 CA VAL A 27 -13.808 7.198 -1.451 1.00 0.00 C ATOM 425 C VAL A 27 -14.801 8.117 -0.741 1.00 0.00 C ATOM 426 O VAL A 27 -15.664 7.659 -0.019 1.00 0.00 O ATOM 427 CB VAL A 27 -12.651 6.839 -0.498 1.00 0.00 C ATOM 428 CG1 VAL A 27 -12.208 8.083 0.283 1.00 0.00 C ATOM 429 CG2 VAL A 27 -13.108 5.761 0.503 1.00 0.00 C ATOM 0 H VAL A 27 -12.580 8.621 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.264 6.256 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.818 6.461 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.390 7.819 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.872 8.850 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.046 8.464 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.284 5.513 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.948 6.138 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.415 4.867 -0.040 1.00 0.00 H new ATOM 439 N SER A 28 -14.742 9.412 -0.990 1.00 0.00 N ATOM 440 CA SER A 28 -15.753 10.318 -0.373 1.00 0.00 C ATOM 441 C SER A 28 -16.887 10.399 -1.387 1.00 0.00 C ATOM 442 O SER A 28 -17.749 11.253 -1.343 1.00 0.00 O ATOM 443 CB SER A 28 -15.166 11.716 -0.179 1.00 0.00 C ATOM 444 OG SER A 28 -15.185 12.409 -1.418 1.00 0.00 O ATOM 0 H SER A 28 -14.048 9.866 -1.584 1.00 0.00 H new ATOM 0 HA SER A 28 -16.078 9.950 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.742 12.264 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.145 11.645 0.196 1.00 0.00 H new ATOM 0 HG SER A 28 -15.012 11.779 -2.148 1.00 0.00 H new ATOM 450 N GLN A 29 -16.843 9.484 -2.322 1.00 0.00 N ATOM 451 CA GLN A 29 -17.851 9.412 -3.414 1.00 0.00 C ATOM 452 C GLN A 29 -18.760 8.212 -3.180 1.00 0.00 C ATOM 453 O GLN A 29 -19.957 8.261 -3.381 1.00 0.00 O ATOM 454 CB GLN A 29 -17.118 9.181 -4.737 1.00 0.00 C ATOM 455 CG GLN A 29 -18.140 9.075 -5.871 1.00 0.00 C ATOM 456 CD GLN A 29 -17.420 9.136 -7.219 1.00 0.00 C ATOM 457 OE1 GLN A 29 -17.144 8.117 -7.820 1.00 0.00 O ATOM 458 NE2 GLN A 29 -17.102 10.297 -7.723 1.00 0.00 N ATOM 0 H GLN A 29 -16.124 8.762 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.431 10.334 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.427 10.001 -4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.523 8.269 -4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.696 8.141 -5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.865 9.886 -5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.334 11.153 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.622 10.349 -8.621 1.00 0.00 H new ATOM 467 N ALA A 30 -18.168 7.117 -2.764 1.00 0.00 N ATOM 468 CA ALA A 30 -18.950 5.866 -2.517 1.00 0.00 C ATOM 469 C ALA A 30 -19.282 5.727 -1.036 1.00 0.00 C ATOM 470 O ALA A 30 -19.491 6.691 -0.326 1.00 0.00 O ATOM 471 CB ALA A 30 -18.109 4.661 -2.957 1.00 0.00 C ATOM 0 H ALA A 30 -17.167 7.037 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.880 5.910 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.669 3.743 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.877 4.747 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.182 4.636 -2.384 1.00 0.00 H new ATOM 477 N ALA A 31 -19.300 4.516 -0.577 1.00 0.00 N ATOM 478 CA ALA A 31 -19.581 4.233 0.857 1.00 0.00 C ATOM 479 C ALA A 31 -18.232 4.265 1.594 1.00 0.00 C ATOM 480 O ALA A 31 -17.206 4.328 0.948 1.00 0.00 O ATOM 481 CB ALA A 31 -20.241 2.836 0.950 1.00 0.00 C ATOM 0 H ALA A 31 -19.128 3.687 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.256 4.963 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.457 2.604 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.169 2.833 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.562 2.085 0.545 1.00 0.00 H new ATOM 487 N PRO A 32 -18.246 4.223 2.907 1.00 0.00 N ATOM 488 CA PRO A 32 -16.988 4.246 3.671 1.00 0.00 C ATOM 489 C PRO A 32 -16.105 3.082 3.198 1.00 0.00 C ATOM 490 O PRO A 32 -16.080 2.024 3.794 1.00 0.00 O ATOM 491 CB PRO A 32 -17.416 4.099 5.152 1.00 0.00 C ATOM 492 CG PRO A 32 -18.971 4.018 5.181 1.00 0.00 C ATOM 493 CD PRO A 32 -19.476 4.146 3.725 1.00 0.00 C ATOM 0 HA PRO A 32 -16.405 5.157 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.977 3.203 5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -17.065 4.947 5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.297 3.074 5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.384 4.814 5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.088 3.290 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.093 5.035 3.597 1.00 0.00 H new ATOM 501 N GLY A 33 -15.400 3.273 2.107 1.00 0.00 N ATOM 502 CA GLY A 33 -14.529 2.190 1.553 1.00 0.00 C ATOM 503 C GLY A 33 -15.126 1.702 0.233 1.00 0.00 C ATOM 504 O GLY A 33 -15.093 2.382 -0.773 1.00 0.00 O ATOM 0 H GLY A 33 -15.392 4.142 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.518 2.564 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.456 1.365 2.262 1.00 0.00 H new ATOM 508 N SER A 34 -15.696 0.533 0.249 1.00 0.00 N ATOM 509 CA SER A 34 -16.339 -0.031 -0.971 1.00 0.00 C ATOM 510 C SER A 34 -15.298 -0.203 -2.100 1.00 0.00 C ATOM 511 O SER A 34 -14.210 0.329 -2.006 1.00 0.00 O ATOM 512 CB SER A 34 -17.472 0.919 -1.401 1.00 0.00 C ATOM 513 OG SER A 34 -17.212 1.428 -2.704 1.00 0.00 O ATOM 0 H SER A 34 -15.745 -0.069 1.071 1.00 0.00 H new ATOM 0 HA SER A 34 -16.751 -1.017 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.425 0.390 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.557 1.741 -0.691 1.00 0.00 H new ATOM 0 HG SER A 34 -16.604 2.194 -2.641 1.00 0.00 H new ATOM 519 N PRO A 35 -15.650 -0.957 -3.133 1.00 0.00 N ATOM 520 CA PRO A 35 -14.726 -1.209 -4.265 1.00 0.00 C ATOM 521 C PRO A 35 -14.409 0.089 -5.033 1.00 0.00 C ATOM 522 O PRO A 35 -13.527 0.118 -5.868 1.00 0.00 O ATOM 523 CB PRO A 35 -15.477 -2.216 -5.171 1.00 0.00 C ATOM 524 CG PRO A 35 -16.926 -2.343 -4.621 1.00 0.00 C ATOM 525 CD PRO A 35 -16.971 -1.617 -3.258 1.00 0.00 C ATOM 0 HA PRO A 35 -13.765 -1.595 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -15.487 -1.869 -6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.978 -3.185 -5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -17.640 -1.900 -5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.202 -3.391 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.781 -0.889 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -17.140 -2.319 -2.442 1.00 0.00 H new ATOM 533 N GLN A 36 -15.107 1.157 -4.761 1.00 0.00 N ATOM 534 CA GLN A 36 -14.820 2.432 -5.487 1.00 0.00 C ATOM 535 C GLN A 36 -13.438 2.926 -5.073 1.00 0.00 C ATOM 536 O GLN A 36 -12.727 3.561 -5.827 1.00 0.00 O ATOM 537 CB GLN A 36 -15.862 3.480 -5.110 1.00 0.00 C ATOM 538 CG GLN A 36 -15.750 4.674 -6.060 1.00 0.00 C ATOM 539 CD GLN A 36 -16.289 4.284 -7.437 1.00 0.00 C ATOM 540 OE1 GLN A 36 -17.359 3.718 -7.546 1.00 0.00 O ATOM 541 NE2 GLN A 36 -15.589 4.565 -8.502 1.00 0.00 N ATOM 0 H GLN A 36 -15.859 1.205 -4.073 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.853 2.262 -6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.862 3.050 -5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.711 3.805 -4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.311 5.521 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.710 4.991 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.691 5.040 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.940 4.310 -9.425 1.00 0.00 H new ATOM 550 N PHE A 37 -13.058 2.608 -3.876 1.00 0.00 N ATOM 551 CA PHE A 37 -11.726 3.002 -3.350 1.00 0.00 C ATOM 552 C PHE A 37 -10.672 2.026 -3.878 1.00 0.00 C ATOM 553 O PHE A 37 -9.484 2.240 -3.730 1.00 0.00 O ATOM 554 CB PHE A 37 -11.793 2.967 -1.829 1.00 0.00 C ATOM 555 CG PHE A 37 -10.434 3.225 -1.211 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.758 4.425 -1.469 1.00 0.00 C ATOM 557 CD2 PHE A 37 -9.860 2.270 -0.358 1.00 0.00 C ATOM 558 CE1 PHE A 37 -8.512 4.667 -0.881 1.00 0.00 C ATOM 559 CE2 PHE A 37 -8.616 2.515 0.231 1.00 0.00 C ATOM 560 CZ PHE A 37 -7.941 3.713 -0.030 1.00 0.00 C ATOM 0 H PHE A 37 -13.630 2.076 -3.220 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.453 4.006 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.503 3.716 -1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -12.165 1.996 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.199 5.163 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.380 1.345 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.990 5.591 -1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.176 1.779 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.980 3.902 0.425 1.00 0.00 H new ATOM 570 N MET A 38 -11.091 0.985 -4.536 1.00 0.00 N ATOM 571 CA MET A 38 -10.112 0.022 -5.121 1.00 0.00 C ATOM 572 C MET A 38 -9.813 0.456 -6.561 1.00 0.00 C ATOM 573 O MET A 38 -8.738 0.234 -7.068 1.00 0.00 O ATOM 574 CB MET A 38 -10.717 -1.394 -5.090 1.00 0.00 C ATOM 575 CG MET A 38 -10.171 -2.267 -6.233 1.00 0.00 C ATOM 576 SD MET A 38 -10.616 -3.997 -5.942 1.00 0.00 S ATOM 577 CE MET A 38 -12.408 -3.765 -5.853 1.00 0.00 C ATOM 0 H MET A 38 -12.072 0.756 -4.696 1.00 0.00 H new ATOM 0 HA MET A 38 -9.185 0.012 -4.548 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.494 -1.865 -4.133 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.802 -1.329 -5.168 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.579 -1.932 -7.187 1.00 0.00 H new ATOM 0 HG3 MET A 38 -9.088 -2.165 -6.296 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.909 -4.705 -6.084 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.684 -3.444 -4.848 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.713 -3.005 -6.573 1.00 0.00 H new ATOM 587 N GLN A 39 -10.755 1.070 -7.216 1.00 0.00 N ATOM 588 CA GLN A 39 -10.523 1.512 -8.621 1.00 0.00 C ATOM 589 C GLN A 39 -9.596 2.729 -8.628 1.00 0.00 C ATOM 590 O GLN A 39 -8.712 2.863 -9.453 1.00 0.00 O ATOM 591 CB GLN A 39 -11.864 1.905 -9.243 1.00 0.00 C ATOM 592 CG GLN A 39 -11.672 2.179 -10.733 1.00 0.00 C ATOM 593 CD GLN A 39 -13.031 2.437 -11.386 1.00 0.00 C ATOM 594 OE1 GLN A 39 -13.846 1.542 -11.493 1.00 0.00 O ATOM 595 NE2 GLN A 39 -13.311 3.631 -11.831 1.00 0.00 N ATOM 0 H GLN A 39 -11.678 1.286 -6.840 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.066 0.702 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.592 1.106 -9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.261 2.791 -8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.020 3.041 -10.874 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.184 1.329 -11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.627 4.382 -11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.214 3.813 -12.269 1.00 0.00 H new ATOM 604 N THR A 40 -9.804 3.610 -7.695 1.00 0.00 N ATOM 605 CA THR A 40 -8.966 4.838 -7.588 1.00 0.00 C ATOM 606 C THR A 40 -7.620 4.480 -6.972 1.00 0.00 C ATOM 607 O THR A 40 -6.606 5.059 -7.311 1.00 0.00 O ATOM 608 CB THR A 40 -9.713 5.844 -6.718 1.00 0.00 C ATOM 609 OG1 THR A 40 -9.138 7.134 -6.856 1.00 0.00 O ATOM 610 CG2 THR A 40 -9.668 5.395 -5.251 1.00 0.00 C ATOM 0 H THR A 40 -10.534 3.532 -6.987 1.00 0.00 H new ATOM 0 HA THR A 40 -8.783 5.273 -8.571 1.00 0.00 H new ATOM 0 HB THR A 40 -10.753 5.892 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.331 7.484 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.203 6.116 -4.633 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.138 4.416 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.631 5.333 -4.921 1.00 0.00 H new ATOM 618 N ILE A 41 -7.572 3.515 -6.124 1.00 0.00 N ATOM 619 CA ILE A 41 -6.244 3.121 -5.561 1.00 0.00 C ATOM 620 C ILE A 41 -5.533 2.242 -6.593 1.00 0.00 C ATOM 621 O ILE A 41 -4.340 2.025 -6.528 1.00 0.00 O ATOM 622 CB ILE A 41 -6.440 2.353 -4.251 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.858 3.340 -3.138 1.00 0.00 C ATOM 624 CG2 ILE A 41 -5.147 1.614 -3.868 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.624 3.980 -2.466 1.00 0.00 C ATOM 0 H ILE A 41 -8.373 2.979 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.643 4.005 -5.349 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.227 1.610 -4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.491 4.121 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.453 2.817 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.300 1.072 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.883 0.910 -4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.340 2.335 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.950 4.669 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.005 3.200 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.044 4.523 -3.212 1.00 0.00 H new ATOM 637 N ARG A 42 -6.266 1.739 -7.545 1.00 0.00 N ATOM 638 CA ARG A 42 -5.650 0.876 -8.589 1.00 0.00 C ATOM 639 C ARG A 42 -4.797 1.720 -9.528 1.00 0.00 C ATOM 640 O ARG A 42 -3.708 1.336 -9.904 1.00 0.00 O ATOM 641 CB ARG A 42 -6.750 0.219 -9.414 1.00 0.00 C ATOM 642 CG ARG A 42 -6.131 -0.637 -10.523 1.00 0.00 C ATOM 643 CD ARG A 42 -7.223 -1.482 -11.181 1.00 0.00 C ATOM 644 NE ARG A 42 -6.619 -2.333 -12.245 1.00 0.00 N ATOM 645 CZ ARG A 42 -7.295 -3.331 -12.745 1.00 0.00 C ATOM 646 NH1 ARG A 42 -8.503 -3.579 -12.317 1.00 0.00 N ATOM 647 NH2 ARG A 42 -6.765 -4.079 -13.673 1.00 0.00 N ATOM 0 H ARG A 42 -7.270 1.889 -7.645 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.032 0.123 -8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.377 -0.400 -8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.395 0.982 -9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.652 0.001 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.356 -1.282 -10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.713 -2.107 -10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.990 -0.836 -11.609 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.677 -2.135 -12.582 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.918 -2.993 -11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.032 -4.359 -12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.822 -3.884 -14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.294 -4.859 -14.063 1.00 0.00 H new ATOM 661 N LEU A 43 -5.291 2.859 -9.937 1.00 0.00 N ATOM 662 CA LEU A 43 -4.512 3.712 -10.886 1.00 0.00 C ATOM 663 C LEU A 43 -3.630 4.686 -10.116 1.00 0.00 C ATOM 664 O LEU A 43 -2.784 5.339 -10.682 1.00 0.00 O ATOM 665 CB LEU A 43 -5.478 4.508 -11.768 1.00 0.00 C ATOM 666 CG LEU A 43 -6.450 3.557 -12.477 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.584 4.371 -13.105 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.718 2.771 -13.575 1.00 0.00 C ATOM 0 H LEU A 43 -6.197 3.236 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.886 3.068 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.034 5.222 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.919 5.085 -12.505 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.856 2.854 -11.749 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.278 3.699 -13.610 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.113 4.920 -12.326 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.170 5.075 -13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.419 2.099 -14.071 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.303 3.466 -14.305 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.911 2.189 -13.129 1.00 0.00 H new ATOM 680 N ALA A 44 -3.798 4.785 -8.830 1.00 0.00 N ATOM 681 CA ALA A 44 -2.935 5.726 -8.046 1.00 0.00 C ATOM 682 C ALA A 44 -1.691 4.988 -7.549 1.00 0.00 C ATOM 683 O ALA A 44 -0.589 5.495 -7.641 1.00 0.00 O ATOM 684 CB ALA A 44 -3.728 6.296 -6.873 1.00 0.00 C ATOM 0 H ALA A 44 -4.486 4.264 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.619 6.551 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.097 6.980 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.599 6.833 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.056 5.482 -6.226 1.00 0.00 H new ATOM 690 N VAL A 45 -1.836 3.798 -7.049 1.00 0.00 N ATOM 691 CA VAL A 45 -0.640 3.051 -6.581 1.00 0.00 C ATOM 692 C VAL A 45 0.042 2.408 -7.790 1.00 0.00 C ATOM 693 O VAL A 45 1.229 2.166 -7.790 1.00 0.00 O ATOM 694 CB VAL A 45 -1.072 1.965 -5.591 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.116 1.056 -5.268 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.569 2.625 -4.302 1.00 0.00 C ATOM 0 H VAL A 45 -2.726 3.311 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 45 0.054 3.729 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.871 1.370 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.197 0.285 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.474 0.586 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.918 1.648 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.878 1.855 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.767 3.219 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.417 3.271 -4.528 1.00 0.00 H new ATOM 706 N GLN A 46 -0.694 2.134 -8.831 1.00 0.00 N ATOM 707 CA GLN A 46 -0.072 1.504 -10.029 1.00 0.00 C ATOM 708 C GLN A 46 0.587 2.567 -10.912 1.00 0.00 C ATOM 709 O GLN A 46 1.475 2.267 -11.685 1.00 0.00 O ATOM 710 CB GLN A 46 -1.148 0.779 -10.838 1.00 0.00 C ATOM 711 CG GLN A 46 -0.485 -0.043 -11.945 1.00 0.00 C ATOM 712 CD GLN A 46 -1.554 -0.820 -12.715 1.00 0.00 C ATOM 713 OE1 GLN A 46 -2.076 -0.342 -13.703 1.00 0.00 O ATOM 714 NE2 GLN A 46 -1.905 -2.007 -12.302 1.00 0.00 N ATOM 0 H GLN A 46 -1.695 2.318 -8.904 1.00 0.00 H new ATOM 0 HA GLN A 46 0.688 0.797 -9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.731 0.128 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.841 1.501 -11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.061 0.614 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.241 -0.732 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.467 -2.409 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.617 -2.533 -12.808 1.00 0.00 H new ATOM 723 N GLN A 47 0.155 3.802 -10.836 1.00 0.00 N ATOM 724 CA GLN A 47 0.767 4.847 -11.714 1.00 0.00 C ATOM 725 C GLN A 47 2.014 5.453 -11.073 1.00 0.00 C ATOM 726 O GLN A 47 3.103 5.373 -11.606 1.00 0.00 O ATOM 727 CB GLN A 47 -0.249 5.968 -11.961 1.00 0.00 C ATOM 728 CG GLN A 47 -1.332 5.479 -12.931 1.00 0.00 C ATOM 729 CD GLN A 47 -2.458 6.512 -13.005 1.00 0.00 C ATOM 730 OE1 GLN A 47 -2.682 7.253 -12.068 1.00 0.00 O ATOM 731 NE2 GLN A 47 -3.180 6.594 -14.089 1.00 0.00 N ATOM 0 H GLN A 47 -0.584 4.129 -10.214 1.00 0.00 H new ATOM 0 HA GLN A 47 1.051 4.370 -12.652 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.703 6.275 -11.019 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.253 6.843 -12.373 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.904 5.321 -13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.727 4.519 -12.598 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.992 5.972 -14.875 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.932 7.280 -14.150 1.00 0.00 H new ATOM 740 N PHE A 48 1.852 6.095 -9.947 1.00 0.00 N ATOM 741 CA PHE A 48 3.014 6.751 -9.282 1.00 0.00 C ATOM 742 C PHE A 48 3.728 5.779 -8.345 1.00 0.00 C ATOM 743 O PHE A 48 4.711 6.144 -7.735 1.00 0.00 O ATOM 744 CB PHE A 48 2.517 7.949 -8.471 1.00 0.00 C ATOM 745 CG PHE A 48 1.735 8.880 -9.366 1.00 0.00 C ATOM 746 CD1 PHE A 48 0.359 8.692 -9.540 1.00 0.00 C ATOM 747 CD2 PHE A 48 2.386 9.932 -10.022 1.00 0.00 C ATOM 748 CE1 PHE A 48 -0.367 9.556 -10.368 1.00 0.00 C ATOM 749 CE2 PHE A 48 1.661 10.795 -10.851 1.00 0.00 C ATOM 750 CZ PHE A 48 0.285 10.608 -11.024 1.00 0.00 C ATOM 0 H PHE A 48 0.962 6.193 -9.458 1.00 0.00 H new ATOM 0 HA PHE A 48 3.716 7.074 -10.051 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.889 7.608 -7.648 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.362 8.478 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.143 7.880 -9.035 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.448 10.077 -9.888 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.429 9.412 -10.501 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.163 11.606 -11.358 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.274 11.275 -11.663 1.00 0.00 H new ATOM 760 N ASP A 49 3.254 4.549 -8.241 1.00 0.00 N ATOM 761 CA ASP A 49 3.912 3.526 -7.342 1.00 0.00 C ATOM 762 C ASP A 49 4.787 4.186 -6.261 1.00 0.00 C ATOM 763 O ASP A 49 5.995 4.063 -6.305 1.00 0.00 O ATOM 764 CB ASP A 49 4.808 2.622 -8.182 1.00 0.00 C ATOM 765 CG ASP A 49 3.957 1.836 -9.180 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.567 2.414 -10.181 1.00 0.00 O ATOM 767 OD2 ASP A 49 3.709 0.668 -8.927 1.00 0.00 O ATOM 0 H ASP A 49 2.435 4.207 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 49 3.118 2.961 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.549 3.220 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.356 1.935 -7.536 1.00 0.00 H new ATOM 772 N PRO A 50 4.172 4.878 -5.333 1.00 0.00 N ATOM 773 CA PRO A 50 4.927 5.559 -4.268 1.00 0.00 C ATOM 774 C PRO A 50 5.849 4.557 -3.554 1.00 0.00 C ATOM 775 O PRO A 50 5.662 3.360 -3.637 1.00 0.00 O ATOM 776 CB PRO A 50 3.846 6.135 -3.325 1.00 0.00 C ATOM 777 CG PRO A 50 2.467 5.925 -4.018 1.00 0.00 C ATOM 778 CD PRO A 50 2.703 5.034 -5.259 1.00 0.00 C ATOM 0 HA PRO A 50 5.579 6.349 -4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.871 5.631 -2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.024 7.194 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.762 5.452 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.034 6.882 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.207 4.069 -5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.308 5.499 -6.162 1.00 0.00 H new ATOM 786 N THR A 51 6.840 5.042 -2.855 1.00 0.00 N ATOM 787 CA THR A 51 7.770 4.122 -2.139 1.00 0.00 C ATOM 788 C THR A 51 7.028 3.470 -0.974 1.00 0.00 C ATOM 789 O THR A 51 5.873 3.757 -0.731 1.00 0.00 O ATOM 790 CB THR A 51 8.967 4.914 -1.607 1.00 0.00 C ATOM 791 OG1 THR A 51 8.516 5.863 -0.650 1.00 0.00 O ATOM 792 CG2 THR A 51 9.656 5.640 -2.763 1.00 0.00 C ATOM 0 H THR A 51 7.046 6.035 -2.749 1.00 0.00 H new ATOM 0 HA THR A 51 8.126 3.353 -2.824 1.00 0.00 H new ATOM 0 HB THR A 51 9.675 4.231 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.281 6.370 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.508 6.203 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.001 4.911 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.951 6.324 -3.235 1.00 0.00 H new ATOM 800 N ALA A 52 7.668 2.593 -0.248 1.00 0.00 N ATOM 801 CA ALA A 52 6.963 1.944 0.890 1.00 0.00 C ATOM 802 C ALA A 52 6.777 2.986 1.996 1.00 0.00 C ATOM 803 O ALA A 52 5.887 2.909 2.821 1.00 0.00 O ATOM 804 CB ALA A 52 7.798 0.771 1.406 1.00 0.00 C ATOM 0 H ALA A 52 8.635 2.302 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 52 5.992 1.566 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.281 0.296 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.939 0.045 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.769 1.135 1.741 1.00 0.00 H new ATOM 810 N LYS A 53 7.623 3.979 1.988 1.00 0.00 N ATOM 811 CA LYS A 53 7.534 5.067 2.998 1.00 0.00 C ATOM 812 C LYS A 53 6.111 5.612 2.997 1.00 0.00 C ATOM 813 O LYS A 53 5.441 5.642 4.010 1.00 0.00 O ATOM 814 CB LYS A 53 8.505 6.169 2.606 1.00 0.00 C ATOM 815 CG LYS A 53 9.930 5.614 2.627 1.00 0.00 C ATOM 816 CD LYS A 53 10.917 6.708 2.218 1.00 0.00 C ATOM 817 CE LYS A 53 12.345 6.182 2.370 1.00 0.00 C ATOM 818 NZ LYS A 53 13.311 7.254 2.000 1.00 0.00 N ATOM 0 H LYS A 53 8.382 4.082 1.314 1.00 0.00 H new ATOM 0 HA LYS A 53 7.783 4.695 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.264 6.547 1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.419 7.009 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.173 5.247 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.010 4.766 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.736 7.010 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.775 7.593 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.518 5.860 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.492 5.309 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.282 6.897 2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.150 7.540 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.176 8.074 2.625 1.00 0.00 H new ATOM 832 N ASP A 54 5.620 5.978 1.845 1.00 0.00 N ATOM 833 CA ASP A 54 4.215 6.448 1.733 1.00 0.00 C ATOM 834 C ASP A 54 3.314 5.468 2.481 1.00 0.00 C ATOM 835 O ASP A 54 2.465 5.865 3.255 1.00 0.00 O ATOM 836 CB ASP A 54 3.821 6.456 0.249 1.00 0.00 C ATOM 837 CG ASP A 54 2.549 7.286 0.038 1.00 0.00 C ATOM 838 OD1 ASP A 54 2.362 8.250 0.762 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.787 6.944 -0.849 1.00 0.00 O ATOM 0 H ASP A 54 6.141 5.970 0.968 1.00 0.00 H new ATOM 0 HA ASP A 54 4.111 7.448 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.635 6.868 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.658 5.435 -0.096 1.00 0.00 H new ATOM 844 N LEU A 55 3.475 4.198 2.261 1.00 0.00 N ATOM 845 CA LEU A 55 2.600 3.225 2.974 1.00 0.00 C ATOM 846 C LEU A 55 2.693 3.472 4.481 1.00 0.00 C ATOM 847 O LEU A 55 1.826 3.086 5.236 1.00 0.00 O ATOM 848 CB LEU A 55 3.031 1.792 2.655 1.00 0.00 C ATOM 849 CG LEU A 55 3.149 1.613 1.138 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.689 0.214 0.833 1.00 0.00 C ATOM 851 CD2 LEU A 55 1.770 1.786 0.483 1.00 0.00 C ATOM 0 H LEU A 55 4.164 3.792 1.628 1.00 0.00 H new ATOM 0 HA LEU A 55 1.570 3.360 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.987 1.575 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.306 1.086 3.059 1.00 0.00 H new ATOM 0 HG LEU A 55 3.831 2.364 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.774 0.084 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.671 0.095 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.007 -0.535 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.861 1.658 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.082 1.040 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.387 2.784 0.699 1.00 0.00 H new ATOM 863 N GLN A 56 3.735 4.118 4.928 1.00 0.00 N ATOM 864 CA GLN A 56 3.861 4.387 6.390 1.00 0.00 C ATOM 865 C GLN A 56 2.925 5.538 6.787 1.00 0.00 C ATOM 866 O GLN A 56 2.100 5.398 7.667 1.00 0.00 O ATOM 867 CB GLN A 56 5.308 4.756 6.724 1.00 0.00 C ATOM 868 CG GLN A 56 5.506 4.723 8.240 1.00 0.00 C ATOM 869 CD GLN A 56 5.481 3.274 8.728 1.00 0.00 C ATOM 870 OE1 GLN A 56 4.678 2.917 9.567 1.00 0.00 O ATOM 871 NE2 GLN A 56 6.333 2.417 8.235 1.00 0.00 N ATOM 0 H GLN A 56 4.499 4.469 4.350 1.00 0.00 H new ATOM 0 HA GLN A 56 3.583 3.492 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.993 4.058 6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.540 5.749 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.455 5.190 8.503 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.721 5.297 8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.007 2.716 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.324 1.448 8.554 1.00 0.00 H new ATOM 880 N ASP A 57 3.042 6.677 6.148 1.00 0.00 N ATOM 881 CA ASP A 57 2.150 7.830 6.499 1.00 0.00 C ATOM 882 C ASP A 57 0.848 7.748 5.695 1.00 0.00 C ATOM 883 O ASP A 57 -0.116 8.417 6.003 1.00 0.00 O ATOM 884 CB ASP A 57 2.864 9.156 6.199 1.00 0.00 C ATOM 885 CG ASP A 57 3.801 9.507 7.356 1.00 0.00 C ATOM 886 OD1 ASP A 57 4.309 8.590 7.980 1.00 0.00 O ATOM 887 OD2 ASP A 57 3.992 10.687 7.599 1.00 0.00 O ATOM 0 H ASP A 57 3.713 6.859 5.402 1.00 0.00 H new ATOM 0 HA ASP A 57 1.916 7.784 7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.430 9.074 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.132 9.951 6.057 1.00 0.00 H new ATOM 892 N LEU A 58 0.793 6.923 4.690 1.00 0.00 N ATOM 893 CA LEU A 58 -0.470 6.794 3.902 1.00 0.00 C ATOM 894 C LEU A 58 -1.340 5.729 4.572 1.00 0.00 C ATOM 895 O LEU A 58 -2.553 5.780 4.511 1.00 0.00 O ATOM 896 CB LEU A 58 -0.133 6.402 2.453 1.00 0.00 C ATOM 897 CG LEU A 58 -1.388 6.491 1.540 1.00 0.00 C ATOM 898 CD1 LEU A 58 -0.980 6.936 0.129 1.00 0.00 C ATOM 899 CD2 LEU A 58 -2.068 5.117 1.432 1.00 0.00 C ATOM 0 H LEU A 58 1.563 6.332 4.378 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.012 7.739 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.647 7.059 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.265 5.387 2.431 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.076 7.213 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.865 6.996 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.504 7.915 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.281 6.214 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.945 5.195 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.369 4.397 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.373 4.783 2.424 1.00 0.00 H new ATOM 911 N LEU A 59 -0.738 4.797 5.254 1.00 0.00 N ATOM 912 CA LEU A 59 -1.534 3.757 5.970 1.00 0.00 C ATOM 913 C LEU A 59 -1.814 4.243 7.399 1.00 0.00 C ATOM 914 O LEU A 59 -2.675 3.731 8.076 1.00 0.00 O ATOM 915 CB LEU A 59 -0.744 2.442 6.004 1.00 0.00 C ATOM 916 CG LEU A 59 -1.656 1.271 6.429 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.421 0.722 5.217 1.00 0.00 C ATOM 918 CD2 LEU A 59 -0.801 0.147 7.026 1.00 0.00 C ATOM 0 H LEU A 59 0.274 4.708 5.348 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.479 3.586 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.320 2.241 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.091 2.531 6.699 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.368 1.635 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.060 -0.103 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.036 1.512 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.712 0.366 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.445 -0.680 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.086 -0.202 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.263 0.522 7.897 1.00 0.00 H new ATOM 930 N GLN A 60 -1.089 5.218 7.873 1.00 0.00 N ATOM 931 CA GLN A 60 -1.326 5.715 9.267 1.00 0.00 C ATOM 932 C GLN A 60 -2.290 6.907 9.260 1.00 0.00 C ATOM 933 O GLN A 60 -2.920 7.205 10.256 1.00 0.00 O ATOM 934 CB GLN A 60 0.009 6.169 9.855 1.00 0.00 C ATOM 935 CG GLN A 60 0.856 4.944 10.209 1.00 0.00 C ATOM 936 CD GLN A 60 2.269 5.391 10.587 1.00 0.00 C ATOM 937 OE1 GLN A 60 2.876 6.180 9.890 1.00 0.00 O ATOM 938 NE2 GLN A 60 2.822 4.918 11.670 1.00 0.00 N ATOM 0 H GLN A 60 -0.345 5.693 7.362 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.762 4.912 9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.539 6.796 9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.161 6.776 10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.401 4.402 11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.894 4.259 9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.313 4.256 12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.764 5.211 11.931 1.00 0.00 H new ATOM 947 N TYR A 61 -2.402 7.600 8.151 1.00 0.00 N ATOM 948 CA TYR A 61 -3.318 8.787 8.081 1.00 0.00 C ATOM 949 C TYR A 61 -4.572 8.430 7.284 1.00 0.00 C ATOM 950 O TYR A 61 -5.681 8.596 7.752 1.00 0.00 O ATOM 951 CB TYR A 61 -2.596 9.950 7.392 1.00 0.00 C ATOM 952 CG TYR A 61 -1.602 10.572 8.350 1.00 0.00 C ATOM 953 CD1 TYR A 61 -0.446 9.870 8.712 1.00 0.00 C ATOM 954 CD2 TYR A 61 -1.838 11.850 8.877 1.00 0.00 C ATOM 955 CE1 TYR A 61 0.473 10.444 9.599 1.00 0.00 C ATOM 956 CE2 TYR A 61 -0.919 12.423 9.764 1.00 0.00 C ATOM 957 CZ TYR A 61 0.237 11.720 10.125 1.00 0.00 C ATOM 958 OH TYR A 61 1.142 12.285 10.999 1.00 0.00 O ATOM 0 H TYR A 61 -1.898 7.395 7.288 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.603 9.077 9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.082 9.594 6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.319 10.698 7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.263 8.886 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.729 12.392 8.598 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.365 9.902 9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.102 13.407 10.170 1.00 0.00 H new ATOM 0 HH TYR A 61 0.827 13.173 11.268 1.00 0.00 H new ATOM 968 N LEU A 62 -4.415 7.943 6.082 1.00 0.00 N ATOM 969 CA LEU A 62 -5.619 7.587 5.277 1.00 0.00 C ATOM 970 C LEU A 62 -6.393 6.491 6.008 1.00 0.00 C ATOM 971 O LEU A 62 -7.599 6.404 5.888 1.00 0.00 O ATOM 972 CB LEU A 62 -5.212 7.127 3.868 1.00 0.00 C ATOM 973 CG LEU A 62 -6.389 7.313 2.885 1.00 0.00 C ATOM 974 CD1 LEU A 62 -6.391 8.746 2.331 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.252 6.324 1.720 1.00 0.00 C ATOM 0 H LEU A 62 -3.517 7.778 5.627 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.256 8.464 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.349 7.699 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.911 6.080 3.892 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.323 7.129 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.224 8.867 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.496 9.454 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.454 8.935 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.084 6.458 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.313 6.506 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.261 5.304 2.105 1.00 0.00 H new ATOM 987 N CYS A 63 -5.731 5.689 6.806 1.00 0.00 N ATOM 988 CA CYS A 63 -6.458 4.641 7.591 1.00 0.00 C ATOM 989 C CYS A 63 -6.494 5.116 9.045 1.00 0.00 C ATOM 990 O CYS A 63 -6.743 6.274 9.313 1.00 0.00 O ATOM 991 CB CYS A 63 -5.722 3.301 7.492 1.00 0.00 C ATOM 992 SG CYS A 63 -5.091 3.087 5.810 1.00 0.00 S ATOM 0 H CYS A 63 -4.721 5.714 6.948 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.467 4.496 7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.900 3.271 8.207 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.396 2.483 7.746 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.050 1.820 5.520 1.00 0.00 H new ATOM 998 N SER A 64 -6.234 4.255 9.989 1.00 0.00 N ATOM 999 CA SER A 64 -6.248 4.712 11.407 1.00 0.00 C ATOM 1000 C SER A 64 -5.527 3.705 12.303 1.00 0.00 C ATOM 1001 O SER A 64 -4.554 4.029 12.955 1.00 0.00 O ATOM 1002 CB SER A 64 -7.688 4.867 11.875 1.00 0.00 C ATOM 1003 OG SER A 64 -8.405 3.670 11.601 1.00 0.00 O ATOM 0 H SER A 64 -6.016 3.269 9.844 1.00 0.00 H new ATOM 0 HA SER A 64 -5.732 5.670 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.714 5.083 12.943 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.158 5.710 11.368 1.00 0.00 H new ATOM 0 HG SER A 64 -9.332 3.768 11.903 1.00 0.00 H new ATOM 1009 N SER A 65 -5.995 2.491 12.353 1.00 0.00 N ATOM 1010 CA SER A 65 -5.329 1.482 13.224 1.00 0.00 C ATOM 1011 C SER A 65 -5.783 0.074 12.838 1.00 0.00 C ATOM 1012 O SER A 65 -5.043 -0.680 12.233 1.00 0.00 O ATOM 1013 CB SER A 65 -5.695 1.753 14.683 1.00 0.00 C ATOM 1014 OG SER A 65 -5.144 0.731 15.503 1.00 0.00 O ATOM 0 H SER A 65 -6.805 2.154 11.832 1.00 0.00 H new ATOM 0 HA SER A 65 -4.249 1.555 13.095 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.314 2.727 14.991 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.778 1.783 14.799 1.00 0.00 H new ATOM 0 HG SER A 65 -5.375 0.903 16.440 1.00 0.00 H new ATOM 1020 N LEU A 66 -6.988 -0.297 13.186 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.477 -1.661 12.841 1.00 0.00 C ATOM 1022 C LEU A 66 -7.147 -1.973 11.379 1.00 0.00 C ATOM 1023 O LEU A 66 -6.358 -2.841 11.100 1.00 0.00 O ATOM 1024 CB LEU A 66 -8.998 -1.728 13.052 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.328 -1.936 14.541 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -8.889 -3.339 15.011 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -8.624 -0.861 15.378 1.00 0.00 C ATOM 0 H LEU A 66 -7.653 0.287 13.694 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.988 -2.394 13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.461 -0.808 12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.417 -2.544 12.463 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.407 -1.854 14.673 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.133 -3.462 16.066 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.410 -4.098 14.427 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.814 -3.449 14.872 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.858 -1.009 16.432 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.546 -0.934 15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.966 0.126 15.065 1.00 0.00 H new ATOM 1039 N VAL A 67 -7.795 -1.306 10.455 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.574 -1.586 8.995 1.00 0.00 C ATOM 1041 C VAL A 67 -6.125 -2.035 8.729 1.00 0.00 C ATOM 1042 O VAL A 67 -5.884 -3.036 8.083 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.869 -0.325 8.188 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.791 -0.643 6.693 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.273 0.181 8.528 1.00 0.00 C ATOM 0 H VAL A 67 -8.475 -0.571 10.649 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.244 -2.391 8.694 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.135 0.442 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.002 0.259 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.792 -1.003 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.524 -1.411 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.485 1.082 7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.006 -0.587 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.330 0.409 9.592 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.159 -1.304 9.238 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.730 -1.694 9.031 1.00 0.00 C ATOM 1057 C ALA A 68 -3.555 -3.152 9.453 1.00 0.00 C ATOM 1058 O ALA A 68 -2.899 -3.934 8.789 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.826 -0.799 9.883 1.00 0.00 C ATOM 0 H ALA A 68 -5.301 -0.456 9.787 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.459 -1.576 7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.785 -1.084 9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.964 0.242 9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.085 -0.917 10.935 1.00 0.00 H new ATOM 1065 N SER A 69 -4.199 -3.533 10.520 1.00 0.00 N ATOM 1066 CA SER A 69 -4.155 -4.945 10.979 1.00 0.00 C ATOM 1067 C SER A 69 -4.682 -5.834 9.851 1.00 0.00 C ATOM 1068 O SER A 69 -3.955 -6.556 9.198 1.00 0.00 O ATOM 1069 CB SER A 69 -5.095 -5.081 12.190 1.00 0.00 C ATOM 1070 OG SER A 69 -4.869 -6.339 12.814 1.00 0.00 O ATOM 0 H SER A 69 -4.763 -2.913 11.102 1.00 0.00 H new ATOM 0 HA SER A 69 -3.139 -5.235 11.247 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.916 -4.272 12.898 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.134 -5.001 11.871 1.00 0.00 H new ATOM 0 HG SER A 69 -5.463 -6.432 13.588 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.971 -5.773 9.652 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.683 -6.567 8.621 1.00 0.00 C ATOM 1078 C LEU A 70 -5.912 -6.753 7.308 1.00 0.00 C ATOM 1079 O LEU A 70 -5.534 -7.849 6.940 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.983 -5.807 8.285 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.688 -5.340 9.568 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -10.095 -4.850 9.218 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -8.794 -6.498 10.568 1.00 0.00 C ATOM 0 H LEU A 70 -6.587 -5.169 10.196 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.837 -7.563 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.755 -4.946 7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.649 -6.452 7.713 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.109 -4.533 10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.600 -4.517 10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.027 -4.020 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.661 -5.664 8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.295 -6.153 11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.367 -7.312 10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.795 -6.853 10.820 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.818 -5.708 6.527 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.238 -5.866 5.168 1.00 0.00 C ATOM 1097 C HIS A 71 -3.821 -6.459 5.202 1.00 0.00 C ATOM 1098 O HIS A 71 -3.513 -7.400 4.482 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.287 -4.509 4.421 1.00 0.00 C ATOM 1100 CG HIS A 71 -3.912 -3.895 4.292 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -3.315 -3.190 5.326 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -3.008 -3.881 3.259 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -2.105 -2.787 4.896 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -1.868 -3.181 3.642 1.00 0.00 N ATOM 0 H HIS A 71 -6.115 -4.763 6.771 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.843 -6.587 4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.716 -4.654 3.429 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.944 -3.823 4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.159 -4.343 2.295 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.410 -2.215 5.492 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.032 -3.006 3.085 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.923 -5.900 5.986 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.546 -6.457 5.956 1.00 0.00 C ATOM 1114 C HIS A 72 -1.610 -7.886 6.487 1.00 0.00 C ATOM 1115 O HIS A 72 -0.736 -8.694 6.245 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.570 -5.593 6.758 1.00 0.00 C ATOM 1117 CG HIS A 72 0.780 -6.255 6.791 1.00 0.00 C ATOM 1118 ND1 HIS A 72 0.993 -7.472 7.419 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.997 -5.880 6.278 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.294 -7.783 7.270 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.952 -6.846 6.582 1.00 0.00 N ATOM 0 H HIS A 72 -3.081 -5.115 6.618 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.167 -6.460 4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.490 -4.603 6.308 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.942 -5.452 7.773 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.292 -8.030 7.905 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.185 -4.973 5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.750 -8.681 7.659 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.687 -8.220 7.155 1.00 0.00 N ATOM 1130 CA GLN A 73 -2.851 -9.617 7.633 1.00 0.00 C ATOM 1131 C GLN A 73 -2.700 -10.486 6.388 1.00 0.00 C ATOM 1132 O GLN A 73 -1.853 -11.350 6.314 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.242 -9.813 8.265 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.201 -10.978 9.260 1.00 0.00 C ATOM 1135 CD GLN A 73 -3.838 -12.268 8.522 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -2.936 -12.977 8.922 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -4.507 -12.604 7.453 1.00 0.00 N ATOM 0 H GLN A 73 -3.452 -7.586 7.386 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.120 -9.874 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.553 -8.900 8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.980 -10.012 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.469 -10.776 10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.169 -11.087 9.749 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.264 -12.009 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.273 -13.462 6.953 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.522 -10.243 5.393 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.415 -11.035 4.131 1.00 0.00 C ATOM 1148 C GLN A 74 -1.922 -11.113 3.769 1.00 0.00 C ATOM 1149 O GLN A 74 -1.301 -12.146 3.923 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.209 -10.318 3.024 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.665 -10.809 3.026 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.525 -9.882 2.168 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.792 -10.173 1.019 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.974 -8.768 2.680 1.00 0.00 N ATOM 0 H GLN A 74 -4.256 -9.535 5.402 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.822 -12.039 4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.179 -9.240 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.752 -10.510 2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.716 -11.827 2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.048 -10.835 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.750 -8.523 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.549 -8.142 2.115 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.332 -9.989 3.360 1.00 0.00 N ATOM 1164 CA LEU A 75 0.151 -9.935 3.065 1.00 0.00 C ATOM 1165 C LEU A 75 0.901 -10.879 4.005 1.00 0.00 C ATOM 1166 O LEU A 75 1.604 -11.761 3.553 1.00 0.00 O ATOM 1167 CB LEU A 75 0.662 -8.502 3.316 1.00 0.00 C ATOM 1168 CG LEU A 75 0.465 -7.635 2.061 1.00 0.00 C ATOM 1169 CD1 LEU A 75 -0.996 -7.677 1.626 1.00 0.00 C ATOM 1170 CD2 LEU A 75 0.857 -6.190 2.378 1.00 0.00 C ATOM 0 H LEU A 75 -1.823 -9.106 3.219 1.00 0.00 H new ATOM 0 HA LEU A 75 0.319 -10.229 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.128 -8.061 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.718 -8.528 3.586 1.00 0.00 H new ATOM 0 HG LEU A 75 1.091 -8.020 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.129 -7.061 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.279 -8.705 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.626 -7.295 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.719 -5.572 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.230 -5.811 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.902 -6.156 2.685 1.00 0.00 H new ATOM 1182 N ASP A 76 0.741 -10.700 5.299 1.00 0.00 N ATOM 1183 CA ASP A 76 1.417 -11.589 6.305 1.00 0.00 C ATOM 1184 C ASP A 76 1.634 -12.985 5.705 1.00 0.00 C ATOM 1185 O ASP A 76 2.732 -13.380 5.338 1.00 0.00 O ATOM 1186 CB ASP A 76 0.478 -11.702 7.536 1.00 0.00 C ATOM 1187 CG ASP A 76 1.299 -11.991 8.801 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.155 -12.858 8.741 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.055 -11.341 9.803 1.00 0.00 O ATOM 0 H ASP A 76 0.162 -9.965 5.706 1.00 0.00 H new ATOM 0 HA ASP A 76 2.385 -11.175 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.083 -10.776 7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.250 -12.497 7.376 1.00 0.00 H new ATOM 1194 N SER A 77 0.568 -13.725 5.586 1.00 0.00 N ATOM 1195 CA SER A 77 0.654 -15.081 5.012 1.00 0.00 C ATOM 1196 C SER A 77 0.735 -15.010 3.491 1.00 0.00 C ATOM 1197 O SER A 77 1.328 -15.869 2.869 1.00 0.00 O ATOM 1198 CB SER A 77 -0.597 -15.857 5.390 1.00 0.00 C ATOM 1199 OG SER A 77 -0.594 -16.109 6.789 1.00 0.00 O ATOM 0 H SER A 77 -0.369 -13.437 5.868 1.00 0.00 H new ATOM 0 HA SER A 77 1.547 -15.572 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.486 -15.291 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.634 -16.798 4.840 1.00 0.00 H new ATOM 0 HG SER A 77 -1.401 -16.608 7.033 1.00 0.00 H new ATOM 1205 N LEU A 78 0.125 -14.023 2.864 1.00 0.00 N ATOM 1206 CA LEU A 78 0.180 -13.978 1.379 1.00 0.00 C ATOM 1207 C LEU A 78 1.631 -14.144 0.965 1.00 0.00 C ATOM 1208 O LEU A 78 1.979 -15.038 0.224 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.388 -12.642 0.846 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.265 -12.898 -0.381 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.086 -11.645 -0.700 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.377 -13.242 -1.578 1.00 0.00 C ATOM 0 H LEU A 78 -0.394 -13.268 3.312 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.429 -14.778 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.972 -12.149 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.428 -11.969 0.585 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.940 -13.729 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.709 -11.831 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.720 -11.399 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.414 -10.812 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.001 -13.425 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.298 -12.411 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.205 -14.136 -1.354 1.00 0.00 H new ATOM 1224 N ILE A 79 2.496 -13.313 1.491 1.00 0.00 N ATOM 1225 CA ILE A 79 3.934 -13.445 1.191 1.00 0.00 C ATOM 1226 C ILE A 79 4.308 -14.907 1.424 1.00 0.00 C ATOM 1227 O ILE A 79 4.844 -15.561 0.551 1.00 0.00 O ATOM 1228 CB ILE A 79 4.700 -12.505 2.156 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.839 -11.097 1.536 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.087 -13.057 2.503 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.621 -11.135 0.209 1.00 0.00 C ATOM 0 H ILE A 79 2.255 -12.546 2.119 1.00 0.00 H new ATOM 0 HA ILE A 79 4.181 -13.171 0.165 1.00 0.00 H new ATOM 0 HB ILE A 79 4.122 -12.441 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.849 -10.676 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.347 -10.438 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.593 -12.370 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.982 -14.030 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.674 -13.165 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.698 -10.126 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.620 -11.532 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.098 -11.774 -0.503 1.00 0.00 H new ATOM 1243 N SER A 80 4.029 -15.425 2.600 1.00 0.00 N ATOM 1244 CA SER A 80 4.372 -16.850 2.876 1.00 0.00 C ATOM 1245 C SER A 80 3.991 -17.714 1.667 1.00 0.00 C ATOM 1246 O SER A 80 4.780 -18.506 1.183 1.00 0.00 O ATOM 1247 CB SER A 80 3.609 -17.337 4.110 1.00 0.00 C ATOM 1248 OG SER A 80 4.280 -18.463 4.660 1.00 0.00 O ATOM 0 H SER A 80 3.584 -14.925 3.369 1.00 0.00 H new ATOM 0 HA SER A 80 5.443 -16.931 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.544 -16.540 4.850 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.588 -17.604 3.839 1.00 0.00 H new ATOM 0 HG SER A 80 3.796 -18.778 5.452 1.00 0.00 H new ATOM 1254 N GLU A 81 2.785 -17.577 1.175 1.00 0.00 N ATOM 1255 CA GLU A 81 2.367 -18.405 0.014 1.00 0.00 C ATOM 1256 C GLU A 81 2.812 -17.758 -1.299 1.00 0.00 C ATOM 1257 O GLU A 81 2.797 -18.386 -2.338 1.00 0.00 O ATOM 1258 CB GLU A 81 0.843 -18.534 0.014 1.00 0.00 C ATOM 1259 CG GLU A 81 0.372 -19.060 1.372 1.00 0.00 C ATOM 1260 CD GLU A 81 -1.158 -19.054 1.419 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -1.746 -20.053 1.040 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.714 -18.050 1.834 1.00 0.00 O ATOM 0 H GLU A 81 2.079 -16.931 1.528 1.00 0.00 H new ATOM 0 HA GLU A 81 2.832 -19.387 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.386 -17.566 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.525 -19.210 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.747 -20.071 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.774 -18.440 2.173 1.00 0.00 H new ATOM 1269 N ALA A 82 3.120 -16.487 -1.314 1.00 0.00 N ATOM 1270 CA ALA A 82 3.463 -15.874 -2.630 1.00 0.00 C ATOM 1271 C ALA A 82 4.843 -16.356 -3.071 1.00 0.00 C ATOM 1272 O ALA A 82 5.110 -16.573 -4.234 1.00 0.00 O ATOM 1273 CB ALA A 82 3.476 -14.350 -2.506 1.00 0.00 C ATOM 0 H ALA A 82 3.149 -15.867 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 82 2.717 -16.169 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.727 -13.909 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.492 -14.002 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.219 -14.051 -1.766 1.00 0.00 H new ATOM 1279 N GLU A 83 5.737 -16.479 -2.109 1.00 0.00 N ATOM 1280 CA GLU A 83 7.138 -16.895 -2.417 1.00 0.00 C ATOM 1281 C GLU A 83 7.235 -18.412 -2.551 1.00 0.00 C ATOM 1282 O GLU A 83 7.982 -18.912 -3.369 1.00 0.00 O ATOM 1283 CB GLU A 83 8.085 -16.435 -1.306 1.00 0.00 C ATOM 1284 CG GLU A 83 8.018 -14.917 -1.146 1.00 0.00 C ATOM 1285 CD GLU A 83 9.047 -14.483 -0.099 1.00 0.00 C ATOM 1286 OE1 GLU A 83 10.155 -14.990 -0.142 1.00 0.00 O ATOM 1287 OE2 GLU A 83 8.709 -13.657 0.732 1.00 0.00 O ATOM 0 H GLU A 83 5.549 -16.307 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 83 7.424 -16.431 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.817 -16.919 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.106 -16.738 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.221 -14.428 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.017 -14.614 -0.839 1.00 0.00 H new ATOM 1294 N THR A 84 6.481 -19.167 -1.790 1.00 0.00 N ATOM 1295 CA THR A 84 6.565 -20.643 -1.953 1.00 0.00 C ATOM 1296 C THR A 84 6.269 -20.949 -3.421 1.00 0.00 C ATOM 1297 O THR A 84 6.961 -21.703 -4.078 1.00 0.00 O ATOM 1298 CB THR A 84 5.542 -21.333 -1.029 1.00 0.00 C ATOM 1299 OG1 THR A 84 5.866 -22.711 -0.919 1.00 0.00 O ATOM 1300 CG2 THR A 84 4.125 -21.194 -1.569 1.00 0.00 C ATOM 0 H THR A 84 5.828 -18.832 -1.081 1.00 0.00 H new ATOM 0 HA THR A 84 7.553 -21.015 -1.681 1.00 0.00 H new ATOM 0 HB THR A 84 5.585 -20.852 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.219 -23.153 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 84 3.428 -21.691 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 84 3.866 -20.138 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.065 -21.653 -2.556 1.00 0.00 H new ATOM 1308 N ARG A 85 5.220 -20.345 -3.925 1.00 0.00 N ATOM 1309 CA ARG A 85 4.803 -20.542 -5.341 1.00 0.00 C ATOM 1310 C ARG A 85 6.016 -20.601 -6.261 1.00 0.00 C ATOM 1311 O ARG A 85 6.098 -21.455 -7.121 1.00 0.00 O ATOM 1312 CB ARG A 85 3.914 -19.363 -5.762 1.00 0.00 C ATOM 1313 CG ARG A 85 3.602 -19.433 -7.273 1.00 0.00 C ATOM 1314 CD ARG A 85 4.759 -18.860 -8.132 1.00 0.00 C ATOM 1315 NE ARG A 85 4.171 -18.044 -9.233 1.00 0.00 N ATOM 1316 CZ ARG A 85 4.936 -17.290 -9.973 1.00 0.00 C ATOM 1317 NH1 ARG A 85 6.224 -17.274 -9.773 1.00 0.00 N ATOM 1318 NH2 ARG A 85 4.413 -16.560 -10.920 1.00 0.00 N ATOM 0 H ARG A 85 4.623 -19.708 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 85 4.260 -21.484 -5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.985 -19.379 -5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.414 -18.422 -5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.418 -20.469 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.687 -18.878 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.420 -18.248 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.364 -19.669 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 85 3.167 -18.076 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.633 -17.851 -9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.823 -16.685 -10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.406 -16.579 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.011 -15.970 -11.499 1.00 0.00 H new ATOM 1332 N GLY A 86 6.963 -19.705 -6.096 1.00 0.00 N ATOM 1333 CA GLY A 86 8.181 -19.715 -6.977 1.00 0.00 C ATOM 1334 C GLY A 86 8.305 -18.386 -7.742 1.00 0.00 C ATOM 1335 O GLY A 86 8.434 -18.368 -8.950 1.00 0.00 O ATOM 0 H GLY A 86 6.947 -18.968 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.073 -19.878 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.119 -20.543 -7.683 1.00 0.00 H new ATOM 1339 N ILE A 87 8.292 -17.275 -7.049 1.00 0.00 N ATOM 1340 CA ILE A 87 8.437 -15.952 -7.737 1.00 0.00 C ATOM 1341 C ILE A 87 9.870 -15.859 -8.280 1.00 0.00 C ATOM 1342 O ILE A 87 10.103 -15.564 -9.436 1.00 0.00 O ATOM 1343 CB ILE A 87 8.161 -14.825 -6.703 1.00 0.00 C ATOM 1344 CG1 ILE A 87 6.690 -14.375 -6.780 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.057 -13.602 -6.953 1.00 0.00 C ATOM 1346 CD1 ILE A 87 5.747 -15.588 -6.796 1.00 0.00 C ATOM 0 H ILE A 87 8.187 -17.225 -6.036 1.00 0.00 H new ATOM 0 HA ILE A 87 7.732 -15.848 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 87 8.379 -15.233 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.455 -13.738 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.535 -13.777 -7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.838 -12.833 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.104 -13.895 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.866 -13.209 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.714 -15.245 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.969 -16.210 -7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.888 -16.171 -5.886 1.00 0.00 H new ATOM 1358 N THR A 88 10.814 -16.119 -7.432 1.00 0.00 N ATOM 1359 CA THR A 88 12.240 -16.060 -7.860 1.00 0.00 C ATOM 1360 C THR A 88 13.138 -16.705 -6.811 1.00 0.00 C ATOM 1361 O THR A 88 14.121 -16.126 -6.394 1.00 0.00 O ATOM 1362 CB THR A 88 12.653 -14.596 -8.052 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.616 -13.898 -8.727 1.00 0.00 O ATOM 1364 CG2 THR A 88 13.938 -14.527 -8.881 1.00 0.00 C ATOM 0 H THR A 88 10.665 -16.372 -6.455 1.00 0.00 H new ATOM 0 HA THR A 88 12.349 -16.603 -8.799 1.00 0.00 H new ATOM 0 HB THR A 88 12.828 -14.139 -7.078 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.292 -14.439 -9.477 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.229 -13.485 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.734 -15.062 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.767 -14.985 -9.855 1.00 0.00 H new ATOM 1372 N SER A 89 12.828 -17.901 -6.384 1.00 0.00 N ATOM 1373 CA SER A 89 13.699 -18.560 -5.365 1.00 0.00 C ATOM 1374 C SER A 89 13.996 -17.571 -4.232 1.00 0.00 C ATOM 1375 O SER A 89 14.855 -17.809 -3.418 1.00 0.00 O ATOM 1376 CB SER A 89 15.014 -18.976 -6.023 1.00 0.00 C ATOM 1377 OG SER A 89 14.736 -19.721 -7.201 1.00 0.00 O ATOM 0 H SER A 89 12.021 -18.444 -6.691 1.00 0.00 H new ATOM 0 HA SER A 89 13.192 -19.437 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.606 -18.094 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.606 -19.575 -5.331 1.00 0.00 H new ATOM 0 HG SER A 89 15.578 -19.988 -7.626 1.00 0.00 H new ATOM 1383 N TYR A 90 13.233 -16.502 -4.173 1.00 0.00 N ATOM 1384 CA TYR A 90 13.347 -15.443 -3.106 1.00 0.00 C ATOM 1385 C TYR A 90 14.761 -15.220 -2.532 1.00 0.00 C ATOM 1386 O TYR A 90 15.571 -16.107 -2.398 1.00 0.00 O ATOM 1387 CB TYR A 90 12.420 -15.829 -1.948 1.00 0.00 C ATOM 1388 CG TYR A 90 12.631 -17.284 -1.604 1.00 0.00 C ATOM 1389 CD1 TYR A 90 13.616 -17.649 -0.678 1.00 0.00 C ATOM 1390 CD2 TYR A 90 11.844 -18.269 -2.214 1.00 0.00 C ATOM 1391 CE1 TYR A 90 13.813 -18.999 -0.361 1.00 0.00 C ATOM 1392 CE2 TYR A 90 12.041 -19.618 -1.896 1.00 0.00 C ATOM 1393 CZ TYR A 90 13.026 -19.983 -0.970 1.00 0.00 C ATOM 1394 OH TYR A 90 13.220 -21.313 -0.658 1.00 0.00 O ATOM 0 H TYR A 90 12.499 -16.310 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 90 13.074 -14.506 -3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.626 -15.204 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.380 -15.656 -2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.224 -16.890 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.085 -17.988 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.572 -19.281 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 90 11.433 -20.378 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 90 12.590 -21.864 -1.168 1.00 0.00 H new ATOM 1404 N ASN A 91 14.994 -14.025 -2.059 1.00 0.00 N ATOM 1405 CA ASN A 91 16.270 -13.739 -1.355 1.00 0.00 C ATOM 1406 C ASN A 91 16.375 -12.234 -1.003 1.00 0.00 C ATOM 1407 O ASN A 91 16.889 -11.913 0.041 1.00 0.00 O ATOM 1408 CB ASN A 91 17.491 -14.252 -2.149 1.00 0.00 C ATOM 1409 CG ASN A 91 18.013 -15.563 -1.545 1.00 0.00 C ATOM 1410 OD1 ASN A 91 17.920 -16.668 -2.233 1.00 0.00 O flip ATOM 1411 ND2 ASN A 91 18.511 -15.578 -0.437 1.00 0.00 N flip ATOM 0 H ASN A 91 14.352 -13.235 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 91 16.271 -14.291 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 91 17.214 -14.410 -3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.280 -13.500 -2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 91 18.584 -14.715 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 91 18.856 -16.454 -0.045 1.00 0.00 H new ATOM 1418 N PRO A 92 15.878 -11.336 -1.835 1.00 0.00 N ATOM 1419 CA PRO A 92 15.926 -9.906 -1.489 1.00 0.00 C ATOM 1420 C PRO A 92 14.844 -9.638 -0.427 1.00 0.00 C ATOM 1421 O PRO A 92 15.055 -8.891 0.508 1.00 0.00 O ATOM 1422 CB PRO A 92 15.665 -9.168 -2.816 1.00 0.00 C ATOM 1423 CG PRO A 92 15.243 -10.246 -3.863 1.00 0.00 C ATOM 1424 CD PRO A 92 15.283 -11.625 -3.156 1.00 0.00 C ATOM 0 HA PRO A 92 16.873 -9.573 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.880 -8.421 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.560 -8.640 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.243 -10.039 -4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.918 -10.234 -4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.285 -12.052 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.884 -12.342 -3.715 1.00 0.00 H new ATOM 1432 N LEU A 93 13.717 -10.312 -0.517 1.00 0.00 N ATOM 1433 CA LEU A 93 12.664 -10.168 0.544 1.00 0.00 C ATOM 1434 C LEU A 93 13.376 -10.396 1.864 1.00 0.00 C ATOM 1435 O LEU A 93 13.378 -9.542 2.710 1.00 0.00 O ATOM 1436 CB LEU A 93 11.562 -11.218 0.318 1.00 0.00 C ATOM 1437 CG LEU A 93 11.258 -11.333 -1.210 1.00 0.00 C ATOM 1438 CD1 LEU A 93 11.864 -12.624 -1.773 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.738 -11.318 -1.466 1.00 0.00 C ATOM 0 H LEU A 93 13.482 -10.952 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 93 12.185 -9.189 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.879 -12.184 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.659 -10.935 0.859 1.00 0.00 H new ATOM 0 HG LEU A 93 11.706 -10.476 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.646 -12.694 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.944 -12.615 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.434 -13.483 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.548 -11.399 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.274 -12.159 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.315 -10.385 -1.092 1.00 0.00 H new ATOM 1451 N ALA A 94 14.007 -11.546 1.976 1.00 0.00 N ATOM 1452 CA ALA A 94 14.825 -11.933 3.181 1.00 0.00 C ATOM 1453 C ALA A 94 14.967 -10.765 4.161 1.00 0.00 C ATOM 1454 O ALA A 94 14.592 -10.841 5.314 1.00 0.00 O ATOM 1455 CB ALA A 94 16.208 -12.290 2.660 1.00 0.00 C ATOM 0 H ALA A 94 13.988 -12.263 1.250 1.00 0.00 H new ATOM 0 HA ALA A 94 14.343 -12.756 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.847 -12.580 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.129 -13.120 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.640 -11.427 2.154 1.00 0.00 H new ATOM 1461 N GLY A 95 15.480 -9.666 3.668 1.00 0.00 N ATOM 1462 CA GLY A 95 15.632 -8.441 4.512 1.00 0.00 C ATOM 1463 C GLY A 95 14.229 -7.942 4.876 1.00 0.00 C ATOM 1464 O GLY A 95 13.283 -8.696 4.794 1.00 0.00 O ATOM 0 H GLY A 95 15.804 -9.564 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.202 -8.667 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.182 -7.671 3.971 1.00 0.00 H new ATOM 1468 N PRO A 96 14.099 -6.700 5.285 1.00 0.00 N ATOM 1469 CA PRO A 96 12.765 -6.186 5.642 1.00 0.00 C ATOM 1470 C PRO A 96 11.951 -6.065 4.335 1.00 0.00 C ATOM 1471 O PRO A 96 12.531 -6.109 3.270 1.00 0.00 O ATOM 1472 CB PRO A 96 13.042 -4.808 6.282 1.00 0.00 C ATOM 1473 CG PRO A 96 14.577 -4.537 6.159 1.00 0.00 C ATOM 1474 CD PRO A 96 15.216 -5.763 5.462 1.00 0.00 C ATOM 0 HA PRO A 96 12.199 -6.817 6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.473 -4.028 5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.733 -4.801 7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.760 -3.630 5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.019 -4.383 7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.662 -5.490 4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.009 -6.199 6.070 1.00 0.00 H new ATOM 1482 N LEU A 97 10.654 -5.881 4.351 1.00 0.00 N ATOM 1483 CA LEU A 97 9.949 -5.730 3.033 1.00 0.00 C ATOM 1484 C LEU A 97 10.259 -4.325 2.483 1.00 0.00 C ATOM 1485 O LEU A 97 10.743 -4.174 1.368 1.00 0.00 O ATOM 1486 CB LEU A 97 8.439 -5.909 3.215 1.00 0.00 C ATOM 1487 CG LEU A 97 8.105 -7.400 3.316 1.00 0.00 C ATOM 1488 CD1 LEU A 97 8.951 -8.044 4.418 1.00 0.00 C ATOM 1489 CD2 LEU A 97 6.621 -7.564 3.652 1.00 0.00 C ATOM 0 H LEU A 97 10.068 -5.830 5.184 1.00 0.00 H new ATOM 0 HA LEU A 97 10.294 -6.491 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.107 -5.390 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.906 -5.463 2.375 1.00 0.00 H new ATOM 0 HG LEU A 97 8.322 -7.886 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.711 -9.105 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.008 -7.926 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.736 -7.560 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.379 -8.624 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.407 -7.077 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.018 -7.107 2.867 1.00 0.00 H new ATOM 1501 N ARG A 98 9.960 -3.296 3.250 1.00 0.00 N ATOM 1502 CA ARG A 98 10.227 -1.888 2.799 1.00 0.00 C ATOM 1503 C ARG A 98 11.552 -1.843 2.028 1.00 0.00 C ATOM 1504 O ARG A 98 11.769 -1.033 1.153 1.00 0.00 O ATOM 1505 CB ARG A 98 10.369 -0.995 4.042 1.00 0.00 C ATOM 1506 CG ARG A 98 8.991 -0.709 4.644 1.00 0.00 C ATOM 1507 CD ARG A 98 9.162 0.036 5.969 1.00 0.00 C ATOM 1508 NE ARG A 98 10.041 -0.755 6.875 1.00 0.00 N ATOM 1509 CZ ARG A 98 10.567 -0.192 7.928 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.321 1.063 8.189 1.00 0.00 N ATOM 1511 NH2 ARG A 98 11.339 -0.884 8.721 1.00 0.00 N ATOM 0 H ARG A 98 9.539 -3.374 4.176 1.00 0.00 H new ATOM 0 HA ARG A 98 9.411 -1.545 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.003 -1.485 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.858 -0.059 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.396 -0.112 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.451 -1.642 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.596 1.020 5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.190 0.196 6.436 1.00 0.00 H new ATOM 0 HE ARG A 98 10.232 -1.736 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.717 1.604 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.732 1.503 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.531 -1.865 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.750 -0.444 9.544 1.00 0.00 H new ATOM 1525 N VAL A 99 12.422 -2.753 2.372 1.00 0.00 N ATOM 1526 CA VAL A 99 13.752 -2.841 1.704 1.00 0.00 C ATOM 1527 C VAL A 99 13.528 -3.211 0.238 1.00 0.00 C ATOM 1528 O VAL A 99 14.098 -2.627 -0.660 1.00 0.00 O ATOM 1529 CB VAL A 99 14.635 -3.897 2.450 1.00 0.00 C ATOM 1530 CG1 VAL A 99 14.845 -5.191 1.627 1.00 0.00 C ATOM 1531 CG2 VAL A 99 16.015 -3.290 2.772 1.00 0.00 C ATOM 0 H VAL A 99 12.265 -3.450 3.099 1.00 0.00 H new ATOM 0 HA VAL A 99 14.280 -1.888 1.742 1.00 0.00 H new ATOM 0 HB VAL A 99 14.102 -4.162 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.464 -5.886 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.879 -5.651 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.340 -4.948 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.625 -4.029 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.509 -2.998 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.888 -2.414 3.408 1.00 0.00 H new ATOM 1541 N GLN A 100 12.711 -4.187 0.001 1.00 0.00 N ATOM 1542 CA GLN A 100 12.450 -4.621 -1.392 1.00 0.00 C ATOM 1543 C GLN A 100 12.061 -3.436 -2.258 1.00 0.00 C ATOM 1544 O GLN A 100 12.682 -3.178 -3.270 1.00 0.00 O ATOM 1545 CB GLN A 100 11.315 -5.639 -1.400 1.00 0.00 C ATOM 1546 CG GLN A 100 11.697 -6.821 -0.518 1.00 0.00 C ATOM 1547 CD GLN A 100 12.924 -7.511 -1.109 1.00 0.00 C ATOM 1548 OE1 GLN A 100 12.790 -8.460 -1.847 1.00 0.00 O ATOM 1549 NE2 GLN A 100 14.118 -7.082 -0.801 1.00 0.00 N ATOM 0 H GLN A 100 12.207 -4.709 0.718 1.00 0.00 H new ATOM 0 HA GLN A 100 13.359 -5.068 -1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.396 -5.180 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.121 -5.977 -2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.909 -6.481 0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.866 -7.524 -0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.227 -6.281 -0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.941 -7.547 -1.183 1.00 0.00 H new ATOM 1558 N ALA A 101 11.025 -2.722 -1.906 1.00 0.00 N ATOM 1559 CA ALA A 101 10.615 -1.575 -2.780 1.00 0.00 C ATOM 1560 C ALA A 101 11.467 -0.341 -2.474 1.00 0.00 C ATOM 1561 O ALA A 101 11.798 0.413 -3.368 1.00 0.00 O ATOM 1562 CB ALA A 101 9.126 -1.274 -2.613 1.00 0.00 C ATOM 0 H ALA A 101 10.455 -2.874 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 101 10.783 -1.853 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.849 -0.438 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.544 -2.153 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.921 -1.016 -1.574 1.00 0.00 H new ATOM 1568 N ASN A 102 11.855 -0.122 -1.257 1.00 0.00 N ATOM 1569 CA ASN A 102 12.711 1.067 -0.988 1.00 0.00 C ATOM 1570 C ASN A 102 14.107 0.802 -1.563 1.00 0.00 C ATOM 1571 O ASN A 102 15.105 1.167 -0.973 1.00 0.00 O ATOM 1572 CB ASN A 102 12.821 1.319 0.518 1.00 0.00 C ATOM 1573 CG ASN A 102 13.448 2.694 0.759 1.00 0.00 C ATOM 1574 OD1 ASN A 102 13.984 3.337 -0.242 1.00 0.00 O flip ATOM 1575 ND2 ASN A 102 13.451 3.187 1.869 1.00 0.00 N flip ATOM 0 H ASN A 102 11.625 -0.699 -0.448 1.00 0.00 H new ATOM 0 HA ASN A 102 12.266 1.946 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.834 1.271 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.428 0.543 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.032 2.684 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.872 4.104 2.019 1.00 0.00 H new ATOM 1582 N ASN A 103 14.186 0.156 -2.711 1.00 0.00 N ATOM 1583 CA ASN A 103 15.519 -0.148 -3.326 1.00 0.00 C ATOM 1584 C ASN A 103 15.497 0.213 -4.829 1.00 0.00 C ATOM 1585 O ASN A 103 15.028 -0.578 -5.623 1.00 0.00 O ATOM 1586 CB ASN A 103 15.791 -1.648 -3.194 1.00 0.00 C ATOM 1587 CG ASN A 103 17.171 -1.966 -3.771 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.974 -0.987 -4.087 1.00 0.00 O flip ATOM 1589 ND2 ASN A 103 17.525 -3.117 -3.935 1.00 0.00 N flip ATOM 0 H ASN A 103 13.382 -0.172 -3.245 1.00 0.00 H new ATOM 0 HA ASN A 103 16.291 0.431 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.745 -1.946 -2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.024 -2.216 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.899 -3.883 -3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.449 -3.317 -4.319 1.00 0.00 H new ATOM 1596 N PRO A 104 15.999 1.382 -5.200 1.00 0.00 N ATOM 1597 CA PRO A 104 16.016 1.789 -6.621 1.00 0.00 C ATOM 1598 C PRO A 104 16.773 0.751 -7.462 1.00 0.00 C ATOM 1599 O PRO A 104 16.557 0.633 -8.651 1.00 0.00 O ATOM 1600 CB PRO A 104 16.727 3.164 -6.634 1.00 0.00 C ATOM 1601 CG PRO A 104 16.910 3.601 -5.154 1.00 0.00 C ATOM 1602 CD PRO A 104 16.582 2.378 -4.270 1.00 0.00 C ATOM 0 HA PRO A 104 15.017 1.856 -7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.692 3.093 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.135 3.898 -7.181 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.931 3.940 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.251 4.436 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.477 1.989 -3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.879 2.639 -3.479 1.00 0.00 H new ATOM 1610 N GLN A 105 17.653 -0.003 -6.862 1.00 0.00 N ATOM 1611 CA GLN A 105 18.403 -1.024 -7.647 1.00 0.00 C ATOM 1612 C GLN A 105 17.499 -2.235 -7.902 1.00 0.00 C ATOM 1613 O GLN A 105 17.231 -2.591 -9.033 1.00 0.00 O ATOM 1614 CB GLN A 105 19.644 -1.464 -6.867 1.00 0.00 C ATOM 1615 CG GLN A 105 20.444 -0.230 -6.445 1.00 0.00 C ATOM 1616 CD GLN A 105 21.750 -0.671 -5.781 1.00 0.00 C ATOM 1617 OE1 GLN A 105 22.718 -0.965 -6.454 1.00 0.00 O ATOM 1618 NE2 GLN A 105 21.819 -0.729 -4.479 1.00 0.00 N ATOM 0 H GLN A 105 17.884 0.043 -5.870 1.00 0.00 H new ATOM 0 HA GLN A 105 18.712 -0.594 -8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.350 -2.038 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.261 -2.118 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.658 0.393 -7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.859 0.377 -5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.007 -0.482 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.685 -1.021 -4.027 1.00 0.00 H new ATOM 1627 N GLN A 106 17.026 -2.871 -6.862 1.00 0.00 N ATOM 1628 CA GLN A 106 16.136 -4.060 -7.044 1.00 0.00 C ATOM 1629 C GLN A 106 14.672 -3.616 -6.978 1.00 0.00 C ATOM 1630 O GLN A 106 14.026 -3.726 -5.955 1.00 0.00 O ATOM 1631 CB GLN A 106 16.408 -5.071 -5.928 1.00 0.00 C ATOM 1632 CG GLN A 106 17.906 -5.376 -5.865 1.00 0.00 C ATOM 1633 CD GLN A 106 18.190 -6.302 -4.682 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.329 -6.533 -3.856 1.00 0.00 O ATOM 1635 NE2 GLN A 106 19.369 -6.847 -4.563 1.00 0.00 N ATOM 0 H GLN A 106 17.217 -2.619 -5.892 1.00 0.00 H new ATOM 0 HA GLN A 106 16.335 -4.519 -8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.067 -4.673 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.847 -5.988 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.232 -5.845 -6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.472 -4.450 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 106 20.092 -6.654 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 106 19.568 -7.466 -3.777 1.00 0.00 H new ATOM 1644 N GLN A 107 14.141 -3.113 -8.063 1.00 0.00 N ATOM 1645 CA GLN A 107 12.716 -2.657 -8.066 1.00 0.00 C ATOM 1646 C GLN A 107 11.806 -3.800 -8.544 1.00 0.00 C ATOM 1647 O GLN A 107 10.601 -3.695 -8.501 1.00 0.00 O ATOM 1648 CB GLN A 107 12.570 -1.458 -9.016 1.00 0.00 C ATOM 1649 CG GLN A 107 12.992 -0.172 -8.299 1.00 0.00 C ATOM 1650 CD GLN A 107 13.209 0.941 -9.326 1.00 0.00 C ATOM 1651 OE1 GLN A 107 13.828 0.671 -10.442 1.00 0.00 O flip ATOM 1652 NE2 GLN A 107 12.811 2.069 -9.110 1.00 0.00 N flip ATOM 0 H GLN A 107 14.633 -2.998 -8.949 1.00 0.00 H new ATOM 0 HA GLN A 107 12.427 -2.365 -7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 107 13.185 -1.609 -9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 107 11.537 -1.374 -9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 107 12.226 0.125 -7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 107 13.908 -0.343 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 107 12.327 2.281 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.961 2.804 -9.801 1.00 0.00 H new ATOM 1661 N GLY A 108 12.364 -4.890 -9.007 1.00 0.00 N ATOM 1662 CA GLY A 108 11.504 -6.021 -9.483 1.00 0.00 C ATOM 1663 C GLY A 108 10.401 -6.280 -8.458 1.00 0.00 C ATOM 1664 O GLY A 108 9.232 -6.059 -8.705 1.00 0.00 O ATOM 0 H GLY A 108 13.369 -5.047 -9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.067 -5.778 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.107 -6.919 -9.621 1.00 0.00 H new ATOM 1668 N LEU A 109 10.793 -6.713 -7.300 1.00 0.00 N ATOM 1669 CA LEU A 109 9.811 -6.960 -6.209 1.00 0.00 C ATOM 1670 C LEU A 109 8.834 -5.776 -6.147 1.00 0.00 C ATOM 1671 O LEU A 109 7.638 -5.972 -6.144 1.00 0.00 O ATOM 1672 CB LEU A 109 10.555 -7.130 -4.879 1.00 0.00 C ATOM 1673 CG LEU A 109 11.193 -8.537 -4.792 1.00 0.00 C ATOM 1674 CD1 LEU A 109 10.130 -9.601 -4.470 1.00 0.00 C ATOM 1675 CD2 LEU A 109 11.891 -8.907 -6.111 1.00 0.00 C ATOM 0 H LEU A 109 11.764 -6.910 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 109 9.248 -7.873 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.328 -6.367 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.865 -6.985 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 109 11.931 -8.511 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.602 -10.582 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.661 -9.369 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.372 -9.607 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.331 -9.900 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.162 -8.903 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.675 -8.180 -6.324 1.00 0.00 H new ATOM 1687 N ARG A 110 9.320 -4.561 -6.092 1.00 0.00 N ATOM 1688 CA ARG A 110 8.391 -3.376 -6.026 1.00 0.00 C ATOM 1689 C ARG A 110 7.183 -3.580 -6.947 1.00 0.00 C ATOM 1690 O ARG A 110 6.081 -3.179 -6.628 1.00 0.00 O ATOM 1691 CB ARG A 110 9.122 -2.100 -6.457 1.00 0.00 C ATOM 1692 CG ARG A 110 8.280 -0.871 -6.100 1.00 0.00 C ATOM 1693 CD ARG A 110 9.119 0.393 -6.293 1.00 0.00 C ATOM 1694 NE ARG A 110 8.324 1.585 -5.886 1.00 0.00 N ATOM 1695 CZ ARG A 110 8.918 2.731 -5.692 1.00 0.00 C ATOM 1696 NH1 ARG A 110 10.208 2.832 -5.859 1.00 0.00 N ATOM 1697 NH2 ARG A 110 8.223 3.774 -5.332 1.00 0.00 N ATOM 0 H ARG A 110 10.314 -4.333 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 110 8.051 -3.279 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.093 -2.042 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.310 -2.123 -7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.391 -0.830 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.937 -0.939 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.031 0.331 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.423 0.484 -7.336 1.00 0.00 H new ATOM 0 HE ARG A 110 7.315 1.506 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.751 2.016 -6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.673 3.727 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.214 3.695 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.688 4.669 -5.181 1.00 0.00 H new ATOM 1711 N ARG A 111 7.362 -4.207 -8.073 1.00 0.00 N ATOM 1712 CA ARG A 111 6.196 -4.431 -8.983 1.00 0.00 C ATOM 1713 C ARG A 111 5.451 -5.691 -8.537 1.00 0.00 C ATOM 1714 O ARG A 111 4.239 -5.742 -8.604 1.00 0.00 O ATOM 1715 CB ARG A 111 6.660 -4.566 -10.439 1.00 0.00 C ATOM 1716 CG ARG A 111 7.576 -3.380 -10.835 1.00 0.00 C ATOM 1717 CD ARG A 111 8.649 -3.858 -11.820 1.00 0.00 C ATOM 1718 NE ARG A 111 9.382 -2.683 -12.370 1.00 0.00 N ATOM 1719 CZ ARG A 111 10.523 -2.854 -12.980 1.00 0.00 C ATOM 1720 NH1 ARG A 111 11.024 -4.053 -13.103 1.00 0.00 N ATOM 1721 NH2 ARG A 111 11.164 -1.826 -13.466 1.00 0.00 N ATOM 0 H ARG A 111 8.254 -4.573 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 111 5.526 -3.573 -8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.197 -5.506 -10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.794 -4.600 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.982 -2.586 -11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.047 -2.960 -9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.344 -4.531 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.188 -4.423 -12.630 1.00 0.00 H new ATOM 0 HE ARG A 111 8.992 -1.746 -12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.524 -4.856 -12.722 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.916 -4.187 -13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.773 -0.889 -13.369 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.056 -1.960 -13.943 1.00 0.00 H new ATOM 1735 N GLU A 112 6.124 -6.688 -8.042 1.00 0.00 N ATOM 1736 CA GLU A 112 5.373 -7.884 -7.564 1.00 0.00 C ATOM 1737 C GLU A 112 4.749 -7.525 -6.213 1.00 0.00 C ATOM 1738 O GLU A 112 3.636 -7.902 -5.907 1.00 0.00 O ATOM 1739 CB GLU A 112 6.315 -9.085 -7.410 1.00 0.00 C ATOM 1740 CG GLU A 112 5.608 -10.228 -6.645 1.00 0.00 C ATOM 1741 CD GLU A 112 5.885 -10.110 -5.141 1.00 0.00 C ATOM 1742 OE1 GLU A 112 6.264 -9.034 -4.710 1.00 0.00 O ATOM 1743 OE2 GLU A 112 5.717 -11.100 -4.449 1.00 0.00 O ATOM 0 H GLU A 112 7.139 -6.731 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 112 4.602 -8.160 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.630 -9.437 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.216 -8.783 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.534 -10.188 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.959 -11.192 -7.012 1.00 0.00 H new ATOM 1750 N TYR A 113 5.466 -6.782 -5.408 1.00 0.00 N ATOM 1751 CA TYR A 113 4.927 -6.376 -4.082 1.00 0.00 C ATOM 1752 C TYR A 113 3.748 -5.425 -4.290 1.00 0.00 C ATOM 1753 O TYR A 113 2.898 -5.280 -3.434 1.00 0.00 O ATOM 1754 CB TYR A 113 6.022 -5.666 -3.280 1.00 0.00 C ATOM 1755 CG TYR A 113 5.440 -5.139 -1.989 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.365 -5.969 -0.864 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.975 -3.820 -1.918 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.825 -5.480 0.332 1.00 0.00 C ATOM 1759 CE2 TYR A 113 4.434 -3.332 -0.722 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.360 -4.162 0.403 1.00 0.00 C ATOM 1761 OH TYR A 113 3.827 -3.680 1.581 1.00 0.00 O ATOM 0 H TYR A 113 6.404 -6.440 -5.616 1.00 0.00 H new ATOM 0 HA TYR A 113 4.595 -7.258 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.838 -6.357 -3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.441 -4.846 -3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.724 -6.986 -0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.034 -3.179 -2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.767 -6.120 1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.074 -2.315 -0.668 1.00 0.00 H new ATOM 0 HH TYR A 113 2.915 -3.360 1.420 1.00 0.00 H new ATOM 1771 N GLN A 114 3.667 -4.801 -5.436 1.00 0.00 N ATOM 1772 CA GLN A 114 2.527 -3.885 -5.713 1.00 0.00 C ATOM 1773 C GLN A 114 1.352 -4.723 -6.216 1.00 0.00 C ATOM 1774 O GLN A 114 0.207 -4.328 -6.132 1.00 0.00 O ATOM 1775 CB GLN A 114 2.938 -2.867 -6.787 1.00 0.00 C ATOM 1776 CG GLN A 114 3.767 -1.736 -6.151 1.00 0.00 C ATOM 1777 CD GLN A 114 2.836 -0.675 -5.556 1.00 0.00 C ATOM 1778 OE1 GLN A 114 2.667 0.386 -6.124 1.00 0.00 O ATOM 1779 NE2 GLN A 114 2.226 -0.916 -4.428 1.00 0.00 N ATOM 0 H GLN A 114 4.345 -4.888 -6.193 1.00 0.00 H new ATOM 0 HA GLN A 114 2.243 -3.347 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.519 -3.362 -7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.051 -2.453 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.414 -2.141 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.415 -1.283 -6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.368 -1.807 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.607 -0.214 -4.023 1.00 0.00 H new ATOM 1788 N GLN A 115 1.633 -5.889 -6.733 1.00 0.00 N ATOM 1789 CA GLN A 115 0.541 -6.765 -7.229 1.00 0.00 C ATOM 1790 C GLN A 115 -0.126 -7.440 -6.032 1.00 0.00 C ATOM 1791 O GLN A 115 -1.338 -7.545 -5.957 1.00 0.00 O ATOM 1792 CB GLN A 115 1.120 -7.830 -8.163 1.00 0.00 C ATOM 1793 CG GLN A 115 1.490 -7.188 -9.502 1.00 0.00 C ATOM 1794 CD GLN A 115 0.215 -6.839 -10.272 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -0.862 -7.273 -9.916 1.00 0.00 O ATOM 1796 NE2 GLN A 115 0.293 -6.066 -11.321 1.00 0.00 N ATOM 0 H GLN A 115 2.574 -6.270 -6.832 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.191 -6.172 -7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.001 -8.286 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.393 -8.627 -8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.084 -6.289 -9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.105 -7.872 -10.087 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.198 -5.702 -11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.551 -5.826 -11.842 1.00 0.00 H new ATOM 1805 N LEU A 116 0.648 -7.870 -5.068 1.00 0.00 N ATOM 1806 CA LEU A 116 0.040 -8.504 -3.872 1.00 0.00 C ATOM 1807 C LEU A 116 -0.519 -7.388 -2.999 1.00 0.00 C ATOM 1808 O LEU A 116 -1.323 -7.606 -2.109 1.00 0.00 O ATOM 1809 CB LEU A 116 1.107 -9.280 -3.094 1.00 0.00 C ATOM 1810 CG LEU A 116 1.910 -10.164 -4.052 1.00 0.00 C ATOM 1811 CD1 LEU A 116 3.025 -10.867 -3.275 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.988 -11.214 -4.685 1.00 0.00 C ATOM 0 H LEU A 116 1.666 -7.808 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.747 -9.199 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.773 -8.586 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.636 -9.894 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 116 2.343 -9.546 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.599 -11.498 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.683 -10.122 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.588 -11.483 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.564 -11.841 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.552 -11.834 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.192 -10.714 -5.237 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.109 -6.177 -3.280 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.613 -5.016 -2.509 1.00 0.00 C ATOM 1826 C TRP A 117 -2.083 -4.808 -2.855 1.00 0.00 C ATOM 1827 O TRP A 117 -2.945 -4.985 -2.018 1.00 0.00 O ATOM 1828 CB TRP A 117 0.178 -3.756 -2.868 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.367 -2.600 -2.093 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.195 -1.653 -2.589 1.00 0.00 C ATOM 1831 CD2 TRP A 117 -0.142 -2.257 -0.695 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.494 -0.750 -1.584 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.868 -1.079 -0.398 1.00 0.00 C ATOM 1834 CE3 TRP A 117 0.613 -2.847 0.334 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.846 -0.507 0.874 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 0.639 -2.273 1.617 1.00 0.00 C ATOM 1837 CH2 TRP A 117 -0.090 -1.106 1.886 1.00 0.00 C ATOM 0 H TRP A 117 0.558 -5.948 -4.017 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.496 -5.208 -1.442 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.234 -3.897 -2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.107 -3.559 -3.938 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.563 -1.609 -3.603 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -2.102 0.060 -1.705 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.177 -3.747 0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.409 0.392 1.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 1.224 -2.733 2.400 1.00 0.00 H new ATOM 0 HH2 TRP A 117 -0.068 -0.670 2.874 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.398 -4.460 -4.082 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.827 -4.273 -4.445 1.00 0.00 C ATOM 1850 C LEU A 118 -4.620 -5.511 -4.045 1.00 0.00 C ATOM 1851 O LEU A 118 -5.781 -5.416 -3.761 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.967 -4.006 -5.946 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.213 -2.716 -6.312 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -3.151 -2.583 -7.837 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.928 -1.484 -5.715 1.00 0.00 C ATOM 0 H LEU A 118 -1.730 -4.300 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.222 -3.410 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.568 -4.846 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.020 -3.912 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.204 -2.767 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.617 -1.670 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.629 -3.443 -8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.163 -2.541 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.381 -0.580 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.942 -1.425 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.966 -1.576 -4.630 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.022 -6.664 -3.957 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.823 -7.830 -3.482 1.00 0.00 C ATOM 1869 C ALA A 119 -5.361 -7.467 -2.091 1.00 0.00 C ATOM 1870 O ALA A 119 -6.510 -7.092 -1.969 1.00 0.00 O ATOM 1871 CB ALA A 119 -3.968 -9.097 -3.422 1.00 0.00 C ATOM 0 H ALA A 119 -3.045 -6.851 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.642 -8.038 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.577 -9.931 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.581 -9.322 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.136 -8.942 -2.735 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.599 -7.567 -1.043 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.165 -7.210 0.299 1.00 0.00 C ATOM 1879 C ALA A 120 -5.797 -5.811 0.289 1.00 0.00 C ATOM 1880 O ALA A 120 -6.310 -5.368 1.294 1.00 0.00 O ATOM 1881 CB ALA A 120 -4.059 -7.224 1.346 1.00 0.00 C ATOM 0 H ALA A 120 -3.626 -7.874 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.933 -7.947 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.476 -6.964 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.617 -8.219 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.292 -6.499 1.074 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.777 -5.110 -0.822 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.390 -3.738 -0.871 1.00 0.00 C ATOM 1889 C PHE A 121 -7.641 -3.756 -1.773 1.00 0.00 C ATOM 1890 O PHE A 121 -8.487 -2.887 -1.708 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.343 -2.744 -1.445 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.129 -1.574 -0.503 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -4.292 -1.717 0.610 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.764 -0.351 -0.749 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -4.090 -0.637 1.478 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.561 0.730 0.119 1.00 0.00 C ATOM 1897 CZ PHE A 121 -4.725 0.587 1.232 1.00 0.00 C ATOM 0 H PHE A 121 -5.363 -5.427 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.684 -3.429 0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.397 -3.261 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.678 -2.377 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -3.802 -2.661 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.410 -0.241 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -3.445 -0.748 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.050 1.674 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.569 1.420 1.901 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.670 -4.670 -2.695 1.00 0.00 N ATOM 1908 CA ALA A 122 -8.744 -4.703 -3.725 1.00 0.00 C ATOM 1909 C ALA A 122 -10.150 -4.715 -3.092 1.00 0.00 C ATOM 1910 O ALA A 122 -10.841 -3.733 -2.929 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.566 -6.018 -4.503 1.00 0.00 C ATOM 0 H ALA A 122 -6.978 -5.415 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 122 -8.665 -3.817 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.333 -6.091 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.581 -6.035 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.658 -6.861 -3.818 1.00 0.00 H new ATOM 1917 N ALA A 123 -10.502 -5.925 -2.728 1.00 0.00 N ATOM 1918 CA ALA A 123 -11.801 -6.250 -2.073 1.00 0.00 C ATOM 1919 C ALA A 123 -11.663 -5.996 -0.583 1.00 0.00 C ATOM 1920 O ALA A 123 -12.031 -6.810 0.240 1.00 0.00 O ATOM 1921 CB ALA A 123 -12.127 -7.725 -2.294 1.00 0.00 C ATOM 0 H ALA A 123 -9.905 -6.740 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 123 -12.595 -5.634 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -13.077 -7.963 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.199 -7.926 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -11.338 -8.341 -1.862 1.00 0.00 H new ATOM 1927 N LEU A 124 -11.107 -4.879 -0.235 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.907 -4.567 1.191 1.00 0.00 C ATOM 1929 C LEU A 124 -12.255 -4.542 1.949 1.00 0.00 C ATOM 1930 O LEU A 124 -12.351 -5.085 3.031 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.200 -3.187 1.296 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.816 -3.325 1.953 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.026 -2.024 1.784 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -8.959 -3.612 3.443 1.00 0.00 C ATOM 0 H LEU A 124 -10.781 -4.164 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.290 -5.340 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.093 -2.753 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -10.816 -2.502 1.878 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.292 -4.149 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.047 -2.129 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.900 -1.810 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.568 -1.205 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.970 -3.707 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.498 -2.794 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.512 -4.541 3.583 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.249 -3.863 1.387 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.559 -3.715 2.048 1.00 0.00 C ATOM 1948 C PRO A 125 -15.165 -5.040 2.495 1.00 0.00 C ATOM 1949 O PRO A 125 -15.523 -5.196 3.644 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.449 -2.985 1.018 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.508 -2.450 -0.089 1.00 0.00 C ATOM 1952 CD PRO A 125 -13.167 -3.191 0.061 1.00 0.00 C ATOM 0 HA PRO A 125 -14.462 -3.153 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.191 -3.664 0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.995 -2.168 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.936 -2.624 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.367 -1.374 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.023 -3.915 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.326 -2.499 0.020 1.00 0.00 H new ATOM 1960 N GLY A 126 -15.337 -5.979 1.623 1.00 0.00 N ATOM 1961 CA GLY A 126 -15.989 -7.245 2.060 1.00 0.00 C ATOM 1962 C GLY A 126 -14.989 -8.219 2.692 1.00 0.00 C ATOM 1963 O GLY A 126 -15.386 -9.175 3.328 1.00 0.00 O ATOM 0 H GLY A 126 -15.063 -5.935 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -16.777 -7.018 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -16.466 -7.721 1.204 1.00 0.00 H new ATOM 1967 N SER A 127 -13.708 -8.026 2.517 1.00 0.00 N ATOM 1968 CA SER A 127 -12.709 -8.978 3.096 1.00 0.00 C ATOM 1969 C SER A 127 -11.886 -8.332 4.210 1.00 0.00 C ATOM 1970 O SER A 127 -10.987 -8.948 4.746 1.00 0.00 O ATOM 1971 CB SER A 127 -11.746 -9.375 1.977 1.00 0.00 C ATOM 1972 OG SER A 127 -10.923 -10.445 2.423 1.00 0.00 O ATOM 0 H SER A 127 -13.307 -7.246 1.996 1.00 0.00 H new ATOM 0 HA SER A 127 -13.244 -9.832 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.305 -9.676 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 127 -11.130 -8.522 1.692 1.00 0.00 H new ATOM 0 HG SER A 127 -10.721 -10.328 3.375 1.00 0.00 H new ATOM 1978 N ALA A 128 -12.150 -7.107 4.558 1.00 0.00 N ATOM 1979 CA ALA A 128 -11.331 -6.465 5.628 1.00 0.00 C ATOM 1980 C ALA A 128 -11.663 -4.971 5.704 1.00 0.00 C ATOM 1981 O ALA A 128 -11.206 -4.203 4.895 1.00 0.00 O ATOM 1982 CB ALA A 128 -9.834 -6.653 5.280 1.00 0.00 C ATOM 0 H ALA A 128 -12.886 -6.526 4.157 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.549 -6.923 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -9.220 -6.189 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.604 -7.717 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -9.622 -6.185 4.319 1.00 0.00 H new ATOM 1988 N LYS A 129 -12.421 -4.557 6.692 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.752 -3.086 6.841 1.00 0.00 C ATOM 1990 C LYS A 129 -14.033 -2.893 7.652 1.00 0.00 C ATOM 1991 O LYS A 129 -14.241 -1.878 8.285 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.979 -2.455 5.434 1.00 0.00 C ATOM 1993 CG LYS A 129 -14.023 -1.311 5.476 1.00 0.00 C ATOM 1994 CD LYS A 129 -13.960 -0.468 4.194 1.00 0.00 C ATOM 1995 CE LYS A 129 -12.895 0.637 4.330 1.00 0.00 C ATOM 1996 NZ LYS A 129 -13.513 1.847 4.942 1.00 0.00 N ATOM 0 H LYS A 129 -12.828 -5.164 7.403 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.918 -2.607 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.034 -2.070 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.313 -3.226 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -15.023 -1.729 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.839 -0.677 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.724 -1.106 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.934 -0.021 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -12.068 0.286 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.482 0.882 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.049 2.700 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.526 1.874 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -13.395 1.812 5.975 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.914 -3.833 7.554 1.00 0.00 N ATOM 2011 CA ASP A 130 -16.223 -3.666 8.237 1.00 0.00 C ATOM 2012 C ASP A 130 -16.856 -2.363 7.689 1.00 0.00 C ATOM 2013 O ASP A 130 -17.008 -1.404 8.420 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.982 -3.527 9.749 1.00 0.00 C ATOM 2015 CG ASP A 130 -14.895 -4.512 10.182 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -15.013 -5.679 9.845 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -13.964 -4.083 10.843 1.00 0.00 O ATOM 0 H ASP A 130 -14.793 -4.704 7.037 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.878 -4.519 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -15.681 -2.507 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -16.905 -3.723 10.295 1.00 0.00 H new ATOM 2022 N PRO A 131 -17.179 -2.354 6.401 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.759 -1.157 5.739 1.00 0.00 C ATOM 2024 C PRO A 131 -19.192 -0.957 6.230 1.00 0.00 C ATOM 2025 O PRO A 131 -19.705 0.143 6.272 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.778 -1.511 4.232 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.504 -3.036 4.125 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.016 -3.524 5.510 1.00 0.00 C ATOM 0 HA PRO A 131 -17.195 -0.247 5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.741 -1.259 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.020 -0.943 3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.409 -3.567 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.752 -3.237 3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.603 -4.373 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -15.977 -3.850 5.471 1.00 0.00 H new ATOM 2036 N SER A 132 -19.847 -2.045 6.537 1.00 0.00 N ATOM 2037 CA SER A 132 -21.270 -1.979 6.961 1.00 0.00 C ATOM 2038 C SER A 132 -22.104 -1.813 5.693 1.00 0.00 C ATOM 2039 O SER A 132 -23.051 -2.538 5.461 1.00 0.00 O ATOM 2040 CB SER A 132 -21.499 -0.785 7.902 1.00 0.00 C ATOM 2041 OG SER A 132 -21.892 0.350 7.139 1.00 0.00 O ATOM 0 H SER A 132 -19.450 -2.984 6.511 1.00 0.00 H new ATOM 0 HA SER A 132 -21.552 -2.882 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 132 -22.268 -1.028 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 132 -20.587 -0.566 8.457 1.00 0.00 H new ATOM 0 HG SER A 132 -21.098 0.778 6.757 1.00 0.00 H new ATOM 2047 N TRP A 133 -21.752 -0.849 4.871 1.00 0.00 N ATOM 2048 CA TRP A 133 -22.518 -0.608 3.603 1.00 0.00 C ATOM 2049 C TRP A 133 -21.555 -0.538 2.416 1.00 0.00 C ATOM 2050 O TRP A 133 -21.240 0.531 1.932 1.00 0.00 O ATOM 2051 CB TRP A 133 -23.277 0.720 3.716 1.00 0.00 C ATOM 2052 CG TRP A 133 -24.319 0.795 2.644 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -24.150 1.379 1.435 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -25.680 0.275 2.661 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -25.321 1.252 0.710 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -26.294 0.580 1.423 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -26.435 -0.423 3.621 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -27.610 0.205 1.147 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -27.760 -0.801 3.346 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -28.345 -0.488 2.111 1.00 0.00 C ATOM 0 H TRP A 133 -20.966 -0.218 5.024 1.00 0.00 H new ATOM 0 HA TRP A 133 -23.221 -1.427 3.447 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -23.744 0.801 4.698 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -22.584 1.556 3.623 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -23.248 1.865 1.092 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -25.450 1.611 -0.236 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -25.993 -0.670 4.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -28.057 0.449 0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -28.331 -1.336 4.090 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -29.363 -0.783 1.905 1.00 0.00 H new ATOM 2071 N ALA A 134 -21.091 -1.667 1.935 1.00 0.00 N ATOM 2072 CA ALA A 134 -20.150 -1.667 0.767 1.00 0.00 C ATOM 2073 C ALA A 134 -20.914 -2.071 -0.496 1.00 0.00 C ATOM 2074 O ALA A 134 -21.144 -3.256 -0.672 1.00 0.00 O ATOM 2075 CB ALA A 134 -19.017 -2.667 1.020 1.00 0.00 C ATOM 2076 OXT ALA A 134 -21.257 -1.188 -1.265 1.00 0.00 O ATOM 0 H ALA A 134 -21.323 -2.590 2.301 1.00 0.00 H new ATOM 0 HA ALA A 134 -19.729 -0.670 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -18.334 -2.666 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -18.475 -2.382 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -19.435 -3.666 1.148 1.00 0.00 H new TER 2082 ALA A 134